SCHEMBL4947225

SCHEMBL4947225

COc1cccc(Nc2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.67
HPGD P15428 2/20 0.67
MEN1 O00255 6/20 0.62
KMT2A Q03164 6/20 0.62
ALDH1A1 P00352 5/20 0.62
MAPK1 P28482 3/20 0.62
TDP1 Q9NUW8 3/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
CASP7 P55210 1/20 0.62
AKR1C3 P42330 5/20 0.60
AKR1C2 P52895 5/20 0.60
AKR1B10 O60218 2/20 0.60
AKR1B1 P15121 2/20 0.60
AKR1C4 P17516 2/20 0.60
AKR1C1 Q04828 2/20 0.60
FBP1 P09467 1/20 0.56
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55

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
SCHEMBL26906360 0.89 MAPT (0.75) MAPTHPGDMEN1KMT2AALDH1A1
SCHEMBL3919771 0.86 TDP1 (0.67) MAPTHPGDMEN1KMT2AALDH1A1
SCHEMBL11690274 0.85 MAPT (0.61) MAPTHPGDMEN1KMT2AALDH1A1
SCHEMBL11901725 0.85 MEN1 (0.62) MAPTHPGDMEN1KMT2AAKR1C3
SCHEMBL7167600 0.85 TDP1 (0.79) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL19781761 0.84 MEN1 (0.61) MAPTHPGDMEN1KMT2AAKR1C3
SCHEMBL2330420 0.84 MAPT (0.62) MAPTHPGDMEN1KMT2AAKR1C3
SCHEMBL4932124 0.84 MAPT (0.63) MAPTHPGDMEN1KMT2ATDP1
SCHEMBL3913669 0.84 MAPK1 (0.68) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL30310075 0.84 MAPK1 (0.68) MAPTMEN1KMT2AALDH1A1MAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230133575-A1 LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE ORGANOMETALLIC COMPOUND SAMSUNG DISPLAY CO LTD (KR) 2023-05-04 US disclosed
CN-101600701-A Arylsulfonamide derivatives and methods of use thereof WYETH CORP (US) 2009-12-09 CN disclosed
US-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-03 US disclosed
US-6218388-B1 THERAPY OF PROTEIN TYROSINE KINASE MEDIATED CANCER, ATHEROSCLEROSIS, RESTENOSIS, AND PSORIASIS BY ADMINISTERING BENZIMIDAZOLE DERIVATIVE WARNER-LAMBERT COMPANY 2001-04-17 US disclosed
US-5990146-A TREATING PROTEIN TYROSINE KINASE MEDIATED CANCER; ANTICARCINOGENIC AGENTS; ATHEROSCLEROSIS; RESTENOSIS; PSORIASIS; ANTIPROLIFERATIVE AGENTS WARNER-LAMBERT COMPANY (US) 1999-11-23 US 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 (2 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-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 MAPT 97/4885HPGD 2336/4885MEN1 4156/4885
US-20230133575-A1 LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE ORGANOMETALLIC COMPOUND LAGE3, LEF1, ELP1 MAPT 2921/4885HPGD 2635/4885MEN1 160/4885

“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.