SCHEMBL3379031

SCHEMBL3379031

NC(=O)c1ccc(C(=O)CBr)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.64
PTPN1 P18031 6/20 0.64
PARP10 Q53GL7 2/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
PARP15 Q460N3 1/20 0.48
PARP14 Q460N5 1/20 0.48
PARP16 Q8N5Y8 1/20 0.48
PARP11 Q9NR21 1/20 0.48
PARP4 Q9UKK3 1/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
PARP1 P09874 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
HSD17B10 Q99714 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
SCHEMBL205280 0.87 GSK3B (0.80) GSK3BPTPN1
SCHEMBL11405057 0.82 GSK3B (0.59) GSK3BPTPN1
SCHEMBL2151966 0.81 GSK3B (0.64) GSK3BPTPN1KMT2APOLBCYP3A4
Carbamic Acid SCHEMBL1983191 0.80 GSK3B (0.83) GSK3BPTPN1CA2
SCHEMBL689331 0.80 GSK3B (0.83) GSK3BPTPN1ALDH1A1MAPTL3MBTL1
SCHEMBL28594745 0.80 GSK3B (0.70) GSK3BPTPN1ALDH1A1MAPT
Terephthalamide SCHEMBL23774 0.79 PARP1 (0.71) PARP10ALDH1A1KMT2APARP15PARP14
SCHEMBL2798050 0.79 GSK3B (0.57) GSK3BPTPN1PARP10KMT2APARP15
SCHEMBL3376212 0.78 PARP10 (0.50) PARP10ALDH1A1KMT2APARP15PARP14
SCHEMBL70930 0.78 GSK3B (1.00) GSK3BPTPN1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa ONO PHARMACEUTICAL CO., LTD. (JP) 2020-07-21 US disclosed
EP-3290413-B9 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2020-04-29 EP disclosed
EP-3290413-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2019-11-13 EP disclosed
EP-3290413-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO Pharmaceutical Co., Ltd. (JP) 2018-03-07 EP disclosed
EP-2794597-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2017-11-15 EP disclosed
US-20170305917-A1 COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2017-10-26 US disclosed
US-9732085-B2 Pyridinone and pyrimidinone derivatives as factor Xia ONO PHARMACEUTICAL CO., LTD. (JP) 2017-08-15 US disclosed
EP-1194421-A1 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2002-04-10 EP disclosed
US-6214853-B1 DIETETICS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-04-10 US disclosed
WO-2001002379-A1 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2001-01-11 WO disclosed
EP-0264678-B1 POLYAMIDES WITH HEXAFLUOROISOPROPYLIDENE GROUPS, POSITIVELY ACTING PHOTOSENSITIVE COMPOSITIONS, AND RECORDING MATERIALS USING THEM HOECHST CELANESE CORPORATION (US) 1991-09-18 EP disclosed
EP-0268389-B1 CYCLOPENTHYL ETHERS AND THEIR PREPARATION AND PHARMACEUTICAL FORMULATION GLAXO GROUP LIMITED (GB) 1991-09-18 EP disclosed
US-4851523-A KETO ESTERS, ANTISECRETORY, ANTIULCER, GASTROINTESTINAL CYTOPROTECTION GLAXO GROUP LIMITED (GB) 1989-07-25 US disclosed
EP-0268389-A2 Cyclopenthyl ethers and their preparation and pharmaceutical formulation GLAXO GROUP LIMITED (GB) 1988-05-25 EP disclosed
EP-0264678-A1 Polyamides with hexafluoroisopropylidene groups, positively acting photosensitive compositions, and recording materials using them HOECHST CELANESE CORPORATION (US) 1988-04-27 EP 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 GSK3B 4011/4885PTPN1 3496/4885PARP10 74/4885
US-20170305917-A1 COMPOUNDS F11, F12, F10 GSK3B 525/4885PTPN1 1613/4885PARP10 2592/4885
US-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa F11, TFPI, F10 GSK3B 1749/4885PTPN1 1586/4885PARP10 1344/4885
US-20100075948-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CCNY, PYCR1 GSK3B 4011/4885PTPN1 3496/4885PARP10 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.