SCHEMBL751432

SCHEMBL751432

[c]1ccc(OCC2CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 4/20 0.50
PARP10 Q53GL7 4/20 0.50
PARP2 Q9UGN5 2/20 0.50
SIGMAR1 Q99720 1/20 0.47
TDP1 Q9NUW8 1/20 0.44
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL3575584 0.92 PARP15 (0.53) PARP15PARP10PARP2SIGMAR1TDP1
SCHEMBL3989257 0.92 PARP15 (0.53) PARP15PARP10PARP2SIGMAR1TDP1
SCHEMBL1987414 0.90 PARP10 (0.54) PARP15PARP10PARP2
SCHEMBL9815659 0.88 PARP15 (0.41) PARP15PARP10PARP2SIGMAR1TDP1
SCHEMBL9815661 0.88 PARP15 (0.41) PARP15PARP10PARP2SIGMAR1TDP1
SCHEMBL3166948 0.87 DHFR (0.42) PARP15PARP10PARP2SIGMAR1TDP1
SCHEMBL5659072 0.87 TDP1 (0.63) TDP1SLC6A2SLC6A4SLC6A3
SCHEMBL5657330 0.84 CARM1 (0.48) SIGMAR1
SCHEMBL29024848 0.84 PARP15 (0.64) PARP15PARP10PARP2SIGMAR1TDP1
SCHEMBL9815670 0.83 PARP15 (0.39) PARP15PARP10PARP2SIGMAR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731954-B2 Histone demethylase inhibitors CELGENE QUANTICEL RES INC (US) 2023-08-22 US claimed
EP-3740493-B1 INHIBTEURS DE L'INDOLEAMINE 2,3-DIOXYGÉNASE ET/OU DU TRYPTOPHANE DIOXYGÉNASE IDORSIA PHARMACEUTICALS LTD (CH) 2021-12-01 EP claimed
CN-105980386-B Pyrazolo compounds and uses thereof 基因泰克公司 2021-08-13 CN claimed
US-20210238161-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2021-08-05 US claimed
US-11001568-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2021-05-11 US claimed
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-31 US claimed
EP-3740493-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE Idorsia Pharmaceuticals Ltd (CH) 2020-11-25 EP claimed
CN-111601810-A Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase 爱杜西亚药品有限公司 2020-08-28 CN claimed
US-20200157077-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2020-05-21 US claimed
EP-2970307-B1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-03-11 EP claimed
CN-101272774-A Substituted acrylamide derivative and pharmaceutical composition comprising the same DAIICHI SANKYO CO LTD (JP) 2008-09-24 CN claimed
EP-1908466-A1 SUBSTITUTED PROPANAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Daiichi Sankyo Company, Limited (JP) 2008-04-09 EP claimed
EP-1880720-A1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Daiichi Sankyo Company, Limited (JP) 2008-01-23 EP claimed
EP-0830349-B1 METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS DU PONT PHARM CO (US) 2000-03-22 EP claimed
US-5877312-A Method for preparing alkylating agents for their use for alkylating cyclic ureas DUPONT PHARMACEUTICALS COMPANY (US) 1999-03-02 US claimed
EP-0830349-A1 METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-03-25 EP claimed
US-5637780-A Method for preparing alkylating agents and their use for alkylating cyclic ureas THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-06-10 US claimed
EP-0767770-A1 METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-04-16 EP claimed
WO-1996039393-A1 METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-12 WO claimed
WO-1996000708-A1 METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-11 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-11001568-B2 Histone demethylase inhibitors KDM1B, KDM1A, BMI1 PARP15 738/4885PARP10 562/4885PARP2 671/4885
US-11731954-B2 Histone demethylase inhibitors KDM1B, KDM1A, BMI1 PARP15 738/4885PARP10 562/4885PARP2 671/4885
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDO2, TDO2, IDO1 PARP15 1597/4885PARP10 1989/4885PARP2 1412/4885
US-20200157077-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, BMI1 PARP15 738/4885PARP10 562/4885PARP2 671/4885
US-20210238161-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, BMI1 PARP15 738/4885PARP10 562/4885PARP2 671/4885

“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.