SCHEMBL1735158

SCHEMBL1735158

Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.58
RAB9A P51151 11/20 0.58
NPC1 O15118 10/20 0.58
SMN1; SMN2 Q16637 10/20 0.58
TP53 P04637 7/20 0.58
ESR1 P03372 2/20 0.57
ESR2 Q92731 2/20 0.57
KDM4E B2RXH2 9/20 0.55
ALDH1A1 P00352 9/20 0.55
CASP3 P42574 3/20 0.55
SENP7 Q9BQF6 3/20 0.55
SENP6 Q9GZR1 3/20 0.55
SENP8 Q96LD8 2/20 0.55
XBP1 P17861 1/20 0.54
HIF1A Q16665 1/20 0.54
ALOX15 P16050 4/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
GAA P10253 3/20 0.54
LMNA P02545 3/20 0.54

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
SCHEMBL2490922 0.90 MAPT (0.67) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL31410713 0.90 ESR1 (0.66) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL2245127 0.90 ESR1 (0.66) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL1734740 0.87 MAPT (0.68) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL1733986 0.84 MAPT (0.57) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL25253936 0.84 MAPT (0.59) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL2489033 0.84 MAPT (0.71) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL2492941 0.84 MAPT (0.72) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL2245734 0.84 RAB9A (0.56) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL20503687 0.82 RAB9A (0.70) MAPTRAB9ANPC1SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954287-B2 CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-02-24 EP disclosed
US-9200046-B2 Reporter system for high throughput screening of compounds and uses thereof CORNELL UNIVERSITY (US) 2015-12-01 US disclosed
US-9200046-B2 Reporter system for high throughput screening of compounds and uses thereof CORNELL UNIVERSITY (US) 2015-12-01 US disclosed
US-20130005666-A1 REPORTER SYSTEM FOR HIGH THROUGHPUT SCREENING OF COMPOUNDS AND USES THEREOF CORNELL UNIVERSITY (US) 2013-01-03 US disclosed
US-20130005666-A1 REPORTER SYSTEM FOR HIGH THROUGHPUT SCREENING OF COMPOUNDS AND USES THEREOF CORNELL UNIVERSITY (US) 2013-01-03 US disclosed
US-8334290-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US disclosed
US-8330039-B2 Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-11 US disclosed
EP-1954287-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2011-11-16 EP disclosed
US-20110262658-A1 PROCESS AND DEVICE FOR TREATING THE COATING OF THERMOPLASTIC RESIN CONTAINERS ZOPPAS MATTEO 2011-10-27 US disclosed
EP-2380208-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. du Pont de Nemours and Company (US) 2011-10-26 EP disclosed
WO-2010085664-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-29 WO disclosed
US-20100180947-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-22 US disclosed
US-20090264405-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-10-22 US disclosed
EP-1954287-A2 CETP INHIBITORS Merck & Co., Inc. (US) 2008-08-13 EP disclosed
WO-2007070173-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-06-21 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 (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-20090264405-A1 Cetp Inhibitors CETP, APOB, PCSK9 MAPT 1796/4885RAB9A 3929/4885NPC1 6/4885
US-20130005666-A1 REPORTER SYSTEM FOR HIGH THROUGHPUT SCREENING OF COMPOUNDS AND USES THEREOF NFE2, NFE2L2, UBE2N MAPT 1707/4885RAB9A 1343/4885NPC1 738/4885

“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.