SCHEMBL2820182

SCHEMBL2820182

Cc1ccc(Cn2cc(CO)nn2)cc1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.73
HDAC1 Q13547 1/20 0.56
CYP19A1 P11511 4/20 0.56
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
KDM1A O60341 6/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
KDR P35968 1/20 0.49
EPHB4 P54760 1/20 0.49
TEK Q02763 1/20 0.49
ATM Q13315 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
SCHEMBL9969547 0.87 HDAC1 (0.61) NOTUMHDAC1CYP19A1NPC1RAB9A
SCHEMBL12885309 0.87 NOTUM (0.73) NOTUMHDAC1CYP19A1NPC1RAB9A
SCHEMBL6980467 0.85 NOTUM (1.00) NOTUMHDAC1CYP19A1
SCHEMBL2820279 0.84 NOTUM (0.69) NOTUMHDAC1CYP19A1NPC1RAB9A
SCHEMBL16206205 0.83 NOTUM (0.73) NOTUMHDAC1CYP19A1KDM1A
SCHEMBL15803296 0.83 CYP19A1 (0.56) NOTUMHDAC1CYP19A1NPC1RAB9A
SCHEMBL2494737 0.83 NOTUM (0.73) NOTUMHDAC1CYP19A1NPC1RAB9A
SCHEMBL2819423 0.83 NOTUM (0.68) NOTUMHDAC1CYP19A1
SCHEMBL15803295 0.81 HDAC1 (0.58) NOTUMHDAC1CYP19A1NPC1RAB9A
SCHEMBL28863788 0.81 NOTUM (0.71) NOTUMCYP19A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9630945-B2 Autotaxin inhibitors NOVARTIS AG (CH) 2017-04-25 US disclosed
US-20150307475-A1 Autotaxin inhibitors NOVARTIS AG (CH) 2015-10-29 US disclosed
US-20150259305-A1 CATALYTIC REACTION NATIONAL TSING HUA UNIVERSITY (TW) 2015-09-17 US disclosed
US-20150259305-A1 CATALYTIC REACTION NATIONAL TSING HUA UNIVERSITY (TW) 2015-09-17 US disclosed
US-20140171404-A1 Autotaxin inhibitors NOVARTIS AG (CH) 2014-06-19 US disclosed
US-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2010-07-22 US disclosed
WO-2010071813-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-α ARYX THERAPEUTICS, INC. (US) 2010-06-24 WO 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-20150307475-A1 Autotaxin inhibitors ENPP2, ATXN10, ATXN2L NOTUM 2658/4885HDAC1 1497/4885CYP19A1 3901/4885
US-20150259305-A1 CATALYTIC REACTION HAO2, CAT, HAAO NOTUM 1479/4885HDAC1 2575/4885CYP19A1 358/4885
US-20140171404-A1 Autotaxin inhibitors ENPP2, ATXN10, ATXN2L NOTUM 2777/4885HDAC1 1983/4885CYP19A1 4766/4885
US-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA PPARA, PPARD, PPARG NOTUM 815/4885HDAC1 1167/4885CYP19A1 296/4885

“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.