SCHEMBL10271012

SCHEMBL10271012

CCc1ccn(Cc2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.50
CYP19A1 P11511 6/20 0.46
CACNA1G O43497 3/20 0.45
CACNA1I Q9P0X4 3/20 0.45
MPO P05164 1/20 0.44
TPO P07202 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43

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
SCHEMBL5869934 0.83 HDAC1 (0.55) HDAC1CYP19A1CACNA1GCACNA1IMPO
SCHEMBL27650131 0.81 HDAC1 (0.54) HDAC1CYP19A1CACNA1GCACNA1IMPO
SCHEMBL5869947 0.81 HDAC1 (0.50) HDAC1CYP19A1CACNA1GCACNA1IMPO
SCHEMBL28862067 0.77 HDAC1 (0.50) HDAC1CYP19A1CACNA1GCACNA1IMPO
SCHEMBL28862061 0.77 HDAC1 (0.44) HDAC1CYP19A1CACNA1GCACNA1IMPO
SCHEMBL10247346 0.77 GFER (0.60) HDAC1CYP19A1CACNA1GCACNA1IALDH1A1
SCHEMBL18496417 0.76 ALDH1A1 (0.62) HDAC1CYP19A1ALDH1A1KDM4ENPC1
SCHEMBL29014035 0.76 ALDH1A1 (0.56) HDAC1CACNA1GCACNA1ICYP3A4ALDH1A1
SCHEMBL18338327 0.76 HDAC1 (0.46) HDAC1CYP19A1CACNA1GCACNA1IMPO
SCHEMBL18338599 0.75 HDAC1 (0.42) HDAC1CYP19A1CACNA1GCACNA1IMPO

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11845715-B2 2023-12-19 US disclosed
US-20180044287-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME INFLAZOME LIMITED (IE) 2018-02-15 US disclosed
US-8389552-B2 (S)-6-(2-(4-(cyclobutylsulfonyl)-1H-imidazol-1-yl)-3-cyclopentylpropanamido)nicotinic acid useful as a glucokinase activator PFIZER INC. (US) 2013-03-05 US disclosed
US-8329920-B2 Substituted imidazoles useful for treating type II diabetes PFIZER INC. (US) 2012-12-11 US disclosed
US-20120225910-A1 Substituted Heteroaryls PFIZER INC. (US) 2012-09-06 US disclosed
US-20120142691-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. 2012-06-07 US disclosed
US-8034933-B2 graft v. host disease, arthritis, rheumatoid arthritis, inflammatory bowel disease, atopic dermatitis, psoriasis, asthma, allergies or multiple sclerosis; human immunodeficiency viricides SCHERING CORPORATION (US) 2011-10-11 US disclosed
US-20110230445-A1 Substituted Heteroaryls PFIZER INC 2011-09-22 US disclosed
US-7442703-B2 Piperidine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2008-10-28 US disclosed
US-20080214575-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION 2008-09-04 US disclosed
US-7384948-B2 Piperidine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2008-06-10 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 (6 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-20120142691-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS CACNA1G, SCN3A, SCN5A HDAC1 696/4885CYP19A1 4458/4885CACNA1G 1/4885
US-11845715-B2 NLRP3, PYCARD, NOD1 HDAC1 1352/4885CYP19A1 4319/4885CACNA1G 2688/4885
US-20080214575-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS CCR5, CCR10, CXCR3 HDAC1 1701/4885CYP19A1 2486/4885CACNA1G 1302/4885
US-20180044287-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME NLRP3, PYCARD, IAPP HDAC1 2157/4885CYP19A1 4404/4885CACNA1G 925/4885
US-20120225910-A1 Substituted Heteroaryls GCKR, GCK, GALK1 HDAC1 480/4885CYP19A1 628/4885CACNA1G 3324/4885
US-20110230445-A1 Substituted Heteroaryls GCKR, GCK, GALK1 HDAC1 467/4885CYP19A1 622/4885CACNA1G 3375/4885

“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.