SCHEMBL10059591

SCHEMBL10059591

COc1cccc(NC(=O)c2cc3ccc(=O)n(-c4ccc(OC(C)C)cc4)c3[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
ALDH1A1 P00352 3/20 0.47
TP53 P04637 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 1/20 0.45
NLRP3 Q96P20 1/20 0.44
TOP2A P11388 2/20 0.44
TSHR P16473 1/20 0.43
PLAU P00749 2/20 0.42
F2 P00734 1/20 0.42
PLG P00747 1/20 0.42
PLAT P00750 1/20 0.42
KLKB1 P03952 1/20 0.42
PRSS1 P07477 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL10059595 0.91 TOP2A (0.47) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL10059698 0.90 ALDH1A1 (0.46) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL10059608 0.90 RAB9A (0.47) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL12305112 0.89 NPC1 (0.42) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL10059638 0.89 RAB9A (0.47) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL16474879 0.89 TOP2A (0.41) NPC1RAB9AALDH1A1SMN1; SMN2TOP2A
SCHEMBL16474843 0.88 EGFR (0.53) ALDH1A1SMN1; SMN2KMT2AMAPTTOP2A
SCHEMBL16474876 0.87 TOP2A (0.41) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL17612700 0.87 RAB9A (0.45) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL10059607 0.87 RAB9A (0.59) NPC1RAB9AALDH1A1TP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290450-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2016-03-22 US disclosed
US-8969347-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. 2015-03-03 US disclosed
US-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2013-04-25 US disclosed
US-20120014917-A1 METHODS OF TREATING HIV PATIENTS WITH ANTI-FIBROTICS UNIVERSITY OF MINNESOTA (US) 2012-01-19 US disclosed
US-20110218515-A1 Methods for Treating Acute Myocardial Infarctions and Associated Disorders THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-09-08 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 (2 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-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS MAP3K8, MAP3K1, MAP3K6 NPC1 3195/4885RAB9A 2764/4885ALDH1A1 2054/4885
US-20120014917-A1 METHODS OF TREATING HIV PATIENTS WITH ANTI-FIBROTICS MMP1, MMP8, CCL11 NPC1 2054/4885RAB9A 3704/4885ALDH1A1 358/4885

“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.