SCHEMBL2850820

SCHEMBL2850820

C[S+]([O-])c1cccc(C(N)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 13/20 0.53
TSHR P16473 2/20 0.47
PARP10 Q53GL7 5/20 0.44
PARP15 Q460N3 3/20 0.44
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PARP14 Q460N5 2/20 0.42
TNKS O95271 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL27785099 0.85 PARP1 (0.53) PARP1TSHRPARP10PARP15POLB
SCHEMBL835559 0.83 CA12 (0.48) TSHRPOLBMAPTRECQLBLM
SCHEMBL10033091 0.83 ALDH1A1 (0.49) POLBTDP1MEN1KMT2A
SCHEMBL10033092 0.81 ALDH1A1 (0.47) PARP1TSHRTDP1L3MBTL1
SCHEMBL20180829 0.81 ALDH1A1 (0.54) POLBCYP3A4MAPTRECQLBLM
SCHEMBL23889105 0.79 MAPT (0.41) TSHRMAPTL3MBTL1MEN1KMT2A
SCHEMBL3818859 0.79 PARP1 (0.47) PARP1TSHRPARP10PARP15POLB
SCHEMBL835174 0.79 TSHR (0.50) TSHRPOLBMAPT
SCHEMBL3974617 0.76 PARP10 (0.47) PARP1TSHRPARP10PARP15POLB
SCHEMBL26398184 0.75 CYP3A4 (0.40) POLBCYP3A4TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111601790-B Heteroaryl compounds as protein kinase inhibitors 福建海西新药创制股份有限公司 2023-03-31 CN claimed
US-8354444-B2 Substituted pyrrolidine-2-carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US claimed
EP-2340021-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2012-11-07 EP claimed
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 US claimed
WO-2010031713-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 WO claimed
US-20100075948-A1 Substituted Pyrrolidine-2-Carboxamides DING QINGJIE 2010-03-25 US claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
CN-116715625-A Heteroaryl compounds as protein kinase inhibitors 福建海西新药创制股份有限公司 2023-09-08 CN disclosed
CN-111601790-B Heteroaryl compounds as protein kinase inhibitors 福建海西新药创制股份有限公司 2023-03-31 CN disclosed
WO-2019055590-A1 BISAMIDE SARCOMERE ACTIVATING COMPOUNDS AND USES THEREOF AMGEN INC. (US) 2019-03-21 WO disclosed
EP-2534132-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2017-04-26 EP disclosed
US-8354444-B2 Substituted pyrrolidine-2-carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
EP-2340021-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2012-11-07 EP disclosed
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 US disclosed
WO-2010031713-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 WO disclosed
US-20100075948-A1 Substituted Pyrrolidine-2-Carboxamides DING QINGJIE 2010-03-25 US disclosed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 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-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CCNY, PYCR1 PARP1 25/4885TSHR 846/4885PARP10 74/4885
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 PARP1 3600/4885TSHR 3666/4885PARP10 2810/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 PARP1 3600/4885TSHR 3666/4885PARP10 2810/4885
US-20100075948-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CCNY, PYCR1 PARP1 25/4885TSHR 846/4885PARP10 74/4885

“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.