SCHEMBL643727

SCHEMBL643727

O=Cc1c[nH]c(C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
NOTUM Q6P988 2/20 0.43
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 4/20 0.40
RAB9A P51151 3/20 0.40
DAO P14920 2/20 0.40
GAA P10253 1/20 0.40
UNG P13051 1/20 0.39
NPC1 O15118 1/20 0.38
HSP90AA1 P07900 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37
BLM P54132 1/20 0.37
HCAR2 Q8TDS4 1/20 0.35
TRIM24 O15164 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CA12 O43570 1/20 0.33

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
SCHEMBL20893878 0.79 RAB9A (0.41) SMN1; SMN2NOTUMTDP1ALDH1A1RAB9A
SCHEMBL25292345 0.79 TDP1 (0.42) SMN1; SMN2NOTUMTDP1ALDH1A1RAB9A
SCHEMBL25292344 0.79 TDP1 (0.42) SMN1; SMN2NOTUMTDP1ALDH1A1RAB9A
SCHEMBL28760409 0.78 RAB9A (0.47) SMN1; SMN2NOTUMTDP1ALDH1A1RAB9A
SCHEMBL261286 0.76 ALDH1A1 (0.49) ALDH1A1GAAPKMLMNAHPGD
SCHEMBL1003723 0.76 BAZ2B (0.51) ALDH1A1GAALMNAMAPK1
SCHEMBL13658710 0.76 TDP1 (0.50) SMN1; SMN2NOTUMTDP1ALDH1A1RAB9A
SCHEMBL20822006 0.74 SMN1; SMN2 (0.40) SMN1; SMN2NOTUMTDP1ALDH1A1RAB9A
SCHEMBL21271446 0.72 TDP1 (0.41) SMN1; SMN2NOTUMTDP1RAB9ADAO
SCHEMBL21271447 0.72 TDP1 (0.41) SMN1; SMN2NOTUMTDP1RAB9ADAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0434070-B1 Pyrrolealdehyde derivative MITSUBISHI CHEM CORP (JP) 1995-08-09 EP claimed
US-11731939-B1 Indole-based chalcone compounds as antibacterial agents King Faisal University (SA) 2023-08-22 US disclosed
CN-111433207-B As alpha V Pyrrolopyrazine derivatives of integrin inhibitors 百时美施贵宝公司 2023-07-25 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11292802-B2 Substituted tetrahydropyrrolo[1,2-a]pyrazines as alpha v integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2022-04-05 US disclosed
EP-3707142-B1 PYRROLOPYRAZINE DERIVATIVES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-12-08 EP disclosed
US-20210163501-A1 PYRROLOPYRAZINE DERIVATIVES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MAYERS SQUIBB COMPANY (US) 2021-06-03 US disclosed
EP-3707142-A1 PYRROLOPYRAZINE DERIVATIVES AS ALPHA V INTEGRIN INHIBITORS Bristol-Myers Squibb Company (US) 2020-09-16 EP disclosed
CN-111433207-A As αVPyrrolopyrazine derivatives of integrin inhibitors 百时美施贵宝公司 2020-07-17 CN disclosed
US-20160368870-A1 OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-12-22 US disclosed
EP-2281822-A1 New dihydroindolone derivatives, method of preparing same and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2011-02-09 EP disclosed
US-20100197667-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2010-08-05 US disclosed
US-7728144-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC (US) 2010-06-01 US disclosed
US-7538132-B2 Isoxazolo derivatives HOFFMAN-LA ROCHE INC. (US) 2009-05-26 US disclosed
EP-1893577-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2008-03-05 EP disclosed
US-7157577-B2 5-sulfonamido-substituted indolinone compounds as protein kinase inhibitors SUGEN INC. (US) 2007-01-02 US disclosed
WO-2006138218-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2006-12-28 WO disclosed
US-20060281740-A1 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2006-12-14 US disclosed
US-20040266843-A1 Sulfonamide substituted indolinones as inhibitors of DNA dependent protein kinase (DNA-PK) SUGEN, INC. 2004-12-30 US disclosed
US-20040204407-A1 5-sulfonamido-substituted indolinone compounds as protein kinase inhibitors SUGEN INC. 2004-10-14 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 (8 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-20160368870-A1 OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY OXER1, AK2, GPR119 SMN1; SMN2 4397/4885NOTUM 2643/4885TDP1 4021/4885
US-20210163501-A1 PYRROLOPYRAZINE DERIVATIVES AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGB5 SMN1; SMN2 3970/4885NOTUM 4609/4885TDP1 4048/4885
US-20100197667-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM3, CHRM5 SMN1; SMN2 4256/4885NOTUM 1357/4885TDP1 4518/4885
US-11731939-B1 Indole-based chalcone compounds as antibacterial agents TPH1, TOP2B, POLB SMN1; SMN2 4807/4885NOTUM 3385/4885TDP1 1222/4885
US-20040204407-A1 5-sulfonamido-substituted indolinone compounds as protein kinase inhibitors DMPK, MAP3K20, PHKG1 SMN1; SMN2 2489/4885NOTUM 2806/4885TDP1 1529/4885
US-11292802-B2 Substituted tetrahydropyrrolo[1,2-a]pyrazines as alpha v integrin inhibitors ITGB1, ITGAV, ITGA1 SMN1; SMN2 3967/4885NOTUM 4648/4885TDP1 4304/4885
US-20040266843-A1 Sulfonamide substituted indolinones as inhibitors of DNA dependent protein kinase (DNA-PK) CHEK2, CHEK1, ATM SMN1; SMN2 4218/4885NOTUM 3733/4885TDP1 171/4885
US-20060281740-A1 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM3, CHRM5 SMN1; SMN2 4256/4885NOTUM 1357/4885TDP1 4518/4885

“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.