SCHEMBL320096

SCHEMBL320096

NC(=NO)c1cccc(CO)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.61
PRSS2 P07478 2/20 0.61
PRSS3 P35030 2/20 0.61
KDM1A O60341 7/20 0.46
NOS3 P29474 2/20 0.45
NOS1 P29475 2/20 0.45
NOS2 P35228 2/20 0.45
GRIN2B Q13224 2/20 0.45
LOXL2 Q9Y4K0 1/20 0.43
ENPP2 Q13822 1/20 0.41
SMYD3 Q9H7B4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL29478759 1.00 PRSS1 (0.61) PRSS1PRSS2PRSS3KDM1ANOS3
SCHEMBL320095 1.00 PRSS1 (0.61) PRSS1PRSS2PRSS3KDM1ANOS3
SCHEMBL9968925 1.00 PRSS1 (0.61) PRSS1PRSS2PRSS3KDM1ANOS3
SCHEMBL2786857 0.85 CYP4F2 (0.50) PRSS1PRSS2PRSS3KDM1AGRIN2B
SCHEMBL9968926 0.85 CYP4F2 (0.50) PRSS1PRSS2PRSS3KDM1AGRIN2B
SCHEMBL320211 0.85 CYP4F2 (0.50) PRSS1PRSS2PRSS3KDM1AGRIN2B
SCHEMBL405393 0.79 AKR1B1 (0.47) KDM1AL3MBTL1
SCHEMBL405392 0.79 AKR1B1 (0.47) KDM1AL3MBTL1
SCHEMBL409609 0.79 TSHR (0.44) PRSS1PRSS2PRSS3KDM1AGRIN2B
SCHEMBL2772408 0.79 KDM1A (0.46) PRSS1PRSS2PRSS3KDM1AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2022-08-18 US disclosed
CN-114269340-A KCNT1 inhibitors and methods of use 普拉克西斯精密药物股份有限公司 2022-04-01 CN disclosed
EP-3962481-A1 KCNT1 INHIBITORS AND METHODS OF USE Praxis Precision Medicines, Inc. (US) 2022-03-09 EP disclosed
WO-2020227101-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2020-11-12 WO disclosed
EP-2250165-B1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2018-07-25 EP disclosed
EP-2414341-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-09-13 EP disclosed
EP-2414342-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-05-31 EP disclosed
EP-2193125-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-01-11 EP disclosed
EP-2590956-B1 5-(biphenyl-4-yl)-3-phenyl-1,2,4-oxadiazolyl derivatives as ligands on the sphingosine 1-phosphate (S1P) receptors MERCK SERONO SA (CH) 2016-05-04 EP disclosed
US-9029405-B2 5-(biphenyl-4-yl)-3-phenyl-1,2,4-oxadiazolyl derivatives as ligands on the sphingosine 1-phosphate(SIP)receptors MERCK SERONO S.A. (CH) 2015-05-12 US disclosed
WO-2010112461-A1 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-07 WO disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
EP-2193125-A2 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2010-06-09 EP disclosed
US-20100120794-A1 Cycloalkylamino Acid Derivatives BHATTACHARYA SAMIT KUMAR 2010-05-13 US disclosed
US-7671043-B2 Cycloalkylamino acid derivatives PFIZER INC (US) 2010-03-02 US disclosed
WO-2009080663-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO S.A. (CH) 2009-07-02 WO disclosed
WO-2009043889-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2009-04-09 WO disclosed
EP-2021338-A1 CYCLOALKYLAMINO ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF Pfizer Products Inc. (US) 2009-02-11 EP disclosed
WO-2007132307-A1 CYCLOALKYLAMINO ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER PRODUCTS INC. (US) 2007-11-22 WO disclosed
US-20070270438-A1 CYCLOALKYLAMINO ACID DERIVATIVES PFIZER INC 2007-11-22 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 (4 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-20100120794-A1 Cycloalkylamino Acid Derivatives CCND1, CCND2, CCND3 PRSS1 1150/4885PRSS2 2271/4885PRSS3 1665/4885
US-20100240658-A1 Oxadiazole Derivatives OXA1L, RO60, NQO2 PRSS1 4819/4885PRSS2 4761/4885PRSS3 4381/4885
US-20070270438-A1 CYCLOALKYLAMINO ACID DERIVATIVES CCND1, CCND2, CCND3 PRSS1 1150/4885PRSS2 2271/4885PRSS3 1665/4885
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 PRSS1 1601/4885PRSS2 2236/4885PRSS3 2058/4885

“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.