SCHEMBL7934255

SCHEMBL7934255

COc1ccc2c(c1)C(=O)N(C)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
HPGD P15428 3/20 0.51
GAA P10253 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 4/20 0.50
ADAM17 P78536 4/20 0.50
MEN1 O00255 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
METAP1 P53582 2/20 0.49
ACHE P22303 1/20 0.49
CASP1 P29466 1/20 0.48
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
SIGMAR1 Q99720 2/20 0.46

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
SCHEMBL31438761 1.00 ALDH1A1 (0.51) ALDH1A1HPGDGAAKDM4ECYP1A2
SCHEMBL30021259 0.86 METAP1 (0.50) L3MBTL1ADAM17METAP1HTR2AHTR2C
SCHEMBL8222715 0.86 METAP1 (0.50) L3MBTL1ADAM17METAP1HTR2AHTR2C
SCHEMBL29853715 0.85 METAP1 (0.46) ALDH1A1HPGDGAAKDM4ECYP1A2
SCHEMBL26768733 0.85 METAP1 (0.46) ALDH1A1HPGDGAAKDM4ECYP1A2
SCHEMBL1036238 0.83 MEN1 (0.62) KMT2AMEN1
SCHEMBL31438780 0.83 MEN1 (0.62) KMT2AMEN1
SCHEMBL13354888 0.82 MAP3K5 (0.48)
SCHEMBL8227753 0.81 ALDH1A1 (0.50) ALDH1A1HPGDGAAKDM4ECYP1A2
SCHEMBL16311338 0.81 ALDH1A1 (0.50) ALDH1A1HPGDGAAKDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210361774-A1 DEGRADERS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-11-25 US disclosed
EP-2331528-B1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME (US) 2020-05-27 EP disclosed
WO-2020081682-A1 DEGRADERS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-04-23 WO disclosed
EP-1973900-B1 HYDANTOIN COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME (US) 2017-04-05 EP disclosed
EP-1976849-B1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME (US) 2016-03-09 EP disclosed
EP-2470183-B1 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS MERCK SHARP & DOHME (US) 2015-09-16 EP disclosed
EP-2078004-B1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MERCK SHARP & DOHME (US) 2015-02-25 EP disclosed
EP-1973901-B1 HYDANTOIN DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME (US) 2014-12-17 EP disclosed
US-20140323519-A1 HETEROCYCLIC COMPOUNDS AS B-RAF INHIBITORS FOR TREATMENT OF CANCER MERCK SHARP & DOHME CORP. (US) 2014-10-30 US disclosed
US-8669259-B2 Heterocyclic amide compounds as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-11 US disclosed
US-20090156586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2009-06-18 US disclosed
US-20090137586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2009-05-28 US disclosed
US-7524842-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-04-28 US disclosed
US-7488745-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-02-10 US disclosed
US-20070219218-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2007-09-20 US disclosed
US-20070197564-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2007-08-23 US disclosed
WO-2007084455-A1 HYDANTOIN COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2007-07-26 WO disclosed
WO-2007084415-A2 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2007-07-26 WO disclosed
WO-2007084451-A1 HYDANTOIN DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2007-07-26 WO disclosed
US-20060276506-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-12-07 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 (7 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-20070219218-A1 Compounds for the treatment of inflammatory disorders ADAMTS1, ADAMTS13, ADAMTS7 ALDH1A1 1285/4885HPGD 358/4885GAA 48/4885
US-20090156586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS ADAMTS1, ADAMTS13, ADAMTS7 ALDH1A1 1372/4885HPGD 337/4885GAA 50/4885
US-20090137586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS ADAMTS1, ADAMTS13, ADAMTS7 ALDH1A1 1285/4885HPGD 358/4885GAA 48/4885
US-20060276506-A1 Compounds for the treatment of inflammatory disorders ADAMTS1, ADAMTS13, ADAMTS7 ALDH1A1 1285/4885HPGD 358/4885GAA 48/4885
US-20140323519-A1 HETEROCYCLIC COMPOUNDS AS B-RAF INHIBITORS FOR TREATMENT OF CANCER BRAF, RAF1, NRAS ALDH1A1 804/4885HPGD 961/4885GAA 2803/4885
US-20210361774-A1 DEGRADERS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 LRRK2, CLK2, DDRGK1 ALDH1A1 3589/4885HPGD 2536/4885GAA 143/4885
US-20070197564-A1 Compounds for the treatment of inflammatory disorders ADAMTS1, ADAMTS13, ADAMTS7 ALDH1A1 1372/4885HPGD 337/4885GAA 50/4885

“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.