SCHEMBL2489776

SCHEMBL2489776

Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.81
NPC1 O15118 13/20 0.81
GFER P55789 3/20 0.81
RXFP1 Q9HBX9 2/20 0.81
MAPT P10636 11/20 0.72
SMN1; SMN2 Q16637 8/20 0.72
TP53 P04637 7/20 0.72
KDM4E B2RXH2 7/20 0.72
ALDH1A1 P00352 6/20 0.72
HSD17B10 Q99714 4/20 0.72
NFKB1 P19838 2/20 0.72
NFKB2 Q00653 2/20 0.72
RELA Q04206 2/20 0.72
L3MBTL1 Q9Y468 1/20 0.72
MEN1 O00255 6/20 0.71
KMT2A Q03164 6/20 0.71
PIK3CB P42338 1/20 0.69
CASP3 P42574 1/20 0.67
XBP1 P17861 1/20 0.63
HIF1A Q16665 1/20 0.63

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
SCHEMBL2488592 0.92 RAB9A (0.96) RAB9ANPC1GFERRXFP1MAPT
SCHEMBL30296348 0.92 RAB9A (0.96) RAB9ANPC1GFERRXFP1MAPT
SCHEMBL2247467 0.90 RAB9A (0.76) RAB9ANPC1GFERRXFP1MAPT
SCHEMBL29404722 0.90 RAB9A (1.00) RAB9ANPC1GFERRXFP1MAPT
SCHEMBL1852701 0.90 RAB9A (1.00) RAB9ANPC1GFERRXFP1MAPT
SCHEMBL31696797 0.90 RAB9A (0.93) RAB9ANPC1GFERRXFP1MAPT
SCHEMBL2243139 0.88 RAB9A (0.72) RAB9ANPC1GFERRXFP1MAPT
SCHEMBL4147179 0.87 NPC1 (0.81) RAB9ANPC1GFERRXFP1MAPT
SCHEMBL10173054 0.86 HDAC6 (0.64) RAB9ANPC1GFERRXFP1MAPT
SCHEMBL2697521 0.85 RAB9A (0.84) RAB9ANPC1GFERRXFP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds CORFIELD JOHN ANDREW 2009-05-28 US disclosed
US-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds CORFIELD JOHN ANDREW 2009-05-28 US disclosed
US-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds CORFIELD JOHN ANDREW 2009-05-28 US disclosed
EP-1971599-A1 ANTIVIRAL 2-CARBOXY-THIOPHENE COMPOUNDS SmithKline Beecham Corporation (US) 2008-09-24 EP disclosed
WO-2007071434-A1 ANTIVIRAL 2-CARBOXY-THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-28 WO disclosed
WO-2007071434-A1 ANTIVIRAL 2-CARBOXY-THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-28 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 (1 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-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds EIF2AK2, HAVCR2, MAVS RAB9A 1920/4885NPC1 1833/4885GFER 2833/4885

“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.