SCHEMBL708120

SCHEMBL708120

COc1ccc(C=CC(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
MAPT P10636 9/20 0.57
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
LMNA P02545 2/20 0.54
POLB P06746 2/20 0.54
ATM Q13315 2/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
BACE1 P56817 1/20 0.53
MAPK1 P28482 2/20 0.51
PTGS2 P35354 1/20 0.50
THRB P10828 1/20 0.50
KDM4E B2RXH2 1/20 0.49
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
GAA P10253 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL708119 1.00 ALDH1A1 (0.61) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL3578531 1.00 ALDH1A1 (0.61) ALDH1A1MAPTMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL15652345 0.99 ALDH1A1 (0.60) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6173314 0.89 BACE1 (0.66) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6173318 0.89 BACE1 (0.66) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL15652343 0.87 MAPT (0.55) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL706409 0.87 MAPT (0.56) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL15652341 0.87 MAPT (0.55) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL4057082 0.87 MAPT (0.56) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL3206821 0.84 MAPT (0.50) ALDH1A1MAPTMEN1KMT2ALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3307738-B1 ARYL DIHYDRO-2H-BENZO[B][1,4]OXAZINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORY AND THE TREATMENT OF DISEASE UNIV MICHIGAN REGENTS (US) 2022-04-20 EP disclosed
CN-107980042-B Aryldihydro-2H-benzo [ b ] [1,4] oxazine sulfonamides and related compounds as ROR gamma agonists and for the treatment of disease 莱斯拉公司 2021-10-08 CN disclosed
US-11059796-B2 Aryl dihydro-2H benzo[b][1,4]oxazine sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-07-13 US disclosed
US-10968198-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor YALE UNIVERSITY (US) 2021-04-06 US disclosed
US-20210061778-A1 ARYL DIHYDRO-2H BENZO[B][1,4]OXAZINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORY AND THE TREATMENT OF DISEASE THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2021-03-04 US disclosed
EP-3267794-B1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR UNIV YALE (US) 2020-09-09 EP disclosed
US-10611740-B2 Aryl dihydro-2H-benzo[b][1,4]oxazine sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease LYCERA CORPORATION (US) 2020-04-07 US disclosed
US-10442798-B2 Tetrahydroquinoline sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease LYCERA CORPORATION (US) 2019-10-15 US disclosed
US-10421751-B2 Dihydro-2H-benzo[b][1,4]oxazine sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease LYCERA CORPORATION (US) 2019-09-24 US disclosed
US-20190276425-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR UNIV YALE (US) 2019-09-12 US disclosed
US-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2011-04-21 US disclosed
EP-2289890-A1 Compounds for the treatment of multi-drug resistant bacterial infections AstraZeneca AB (SE) 2011-03-02 EP disclosed
US-7875715-B2 6-[({1-[2-(7-methoxy-2-oxoquinoxalin-1(2H)-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one; antibacteria; methicillin-resistant Staphylococcus aureus (MRSA), methicillin-resistant coagulase-negative staphylococci (MRCNS), penicillin-resistant Streptococcus pneumoniae ASTRAZENECA AB (SE) 2011-01-25 US disclosed
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-06-17 US disclosed
US-20100137308-A1 Quinoxaline Compounds and Use Thereof MERCK SERONO SA (CH) 2010-06-03 US disclosed
EP-2118076-A1 QUINOXALINE COMPOUNDS AND USE THEREOF Merck Serono S.A. (CH) 2009-11-18 EP disclosed
WO-2009106534-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS M1 AGONISTS H. LUNDBECK A/S (DK) 2009-09-03 WO disclosed
WO-2008101979-A1 QUINOXALINE COMPOUNDS AND USE THEREOF MERCK SERONO S.A. (CH) 2008-08-28 WO disclosed
EP-1045833-A1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER INC. (US) 2000-10-25 EP disclosed
WO-1999035130-A1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 1999-07-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10968198-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor MIF, MMP12, CSF1R ALDH1A1 3264/4885MAPT 4521/4885MEN1 3635/4885
US-11059796-B2 Aryl dihydro-2H benzo[b][1,4]oxazine sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease RORB, RORA, RORC ALDH1A1 170/4885MAPT 3563/4885MEN1 4565/4885
US-10611740-B2 Aryl dihydro-2H-benzo[b][1,4]oxazine sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease RORB, RORA, RORC ALDH1A1 172/4885MAPT 3421/4885MEN1 4457/4885
US-20100137308-A1 Quinoxaline Compounds and Use Thereof PFKP, PDXK, PF4 ALDH1A1 577/4885MAPT 3821/4885MEN1 927/4885
US-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK ALDH1A1 2130/4885MAPT 2405/4885MEN1 2771/4885
US-10442798-B2 Tetrahydroquinoline sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease RORA, RORC, RORB ALDH1A1 762/4885MAPT 3295/4885MEN1 3007/4885
US-10421751-B2 Dihydro-2H-benzo[b][1,4]oxazine sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease RORB, RORA, RORC ALDH1A1 201/4885MAPT 3063/4885MEN1 4287/4885
US-20190276425-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MMP12, CSF1R ALDH1A1 3264/4885MAPT 4521/4885MEN1 3635/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK ALDH1A1 2130/4885MAPT 2405/4885MEN1 2771/4885
US-20210061778-A1 ARYL DIHYDRO-2H BENZO[B][1,4]OXAZINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORY AND THE TREATMENT OF DISEASE RORB, RORA, RORC ALDH1A1 151/4885MAPT 3462/4885MEN1 4281/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.