SCHEMBL178528

SCHEMBL178528

CNC(C)c1cc2ccccc2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.50
HIF1A Q16665 1/20 0.50
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.45
THRB P10828 1/20 0.45
MAOB P27338 3/20 0.43
MAOA P21397 1/20 0.43
POLB P06746 2/20 0.42
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
CYP19A1 P11511 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP2A6 P11509 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
FLT3 P36888 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40

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
SCHEMBL16133047 0.80 CYP2D6 (0.47) CYP2D6HIF1AALDH1A1LMNATHRB
SCHEMBL162882 0.79 NPC1 (0.52) CYP2D6HIF1AALDH1A1LMNATHRB
SCHEMBL31301099 0.78 ALDH1A1 (0.54) CYP2D6HIF1AALDH1A1LMNATHRB
SCHEMBL4499439 0.78 ALDH1A1 (0.54) CYP2D6HIF1AALDH1A1LMNATHRB
SCHEMBL20559127 0.77 GAA (0.39) CYP2D6HIF1AALDH1A1MAOBPOLB
SCHEMBL20559123 0.77 GAA (0.39) CYP2D6HIF1AALDH1A1MAOBPOLB
SCHEMBL21865143 0.76 CYP2D6 (0.49) CYP2D6HIF1AALDH1A1LMNATHRB
SCHEMBL21003972 0.76 CYP2D6 (0.49) CYP2D6HIF1AALDH1A1LMNATHRB
SCHEMBL12087087 0.76 ALDH1A1 (0.49) CYP2D6HIF1AALDH1A1LMNATHRB
SCHEMBL1707058 0.76 CYP2D6 (0.49) CYP2D6HIF1AALDH1A1LMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9260454-B2 Isothiazolopyridine-2-carboxamides and their use as pharmaceuticals SANOFI (FR) 2016-02-16 US disclosed
US-8883824-B2 3-(4-aminophenyl)-2-furancarboxylic acid derivative and pharmaceutically acceptable salt thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-11 US disclosed
US-20140296169-A1 ISOTHIAZOLOPYRIDINE-2-CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-10-02 US disclosed
EP-2431362-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-03-21 EP disclosed
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-03-08 US disclosed
WO-2010131669-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 大日本住友製薬株式会社 (JP) 2010-11-18 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-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACSL3, SLCO4C1, SLC38A7 CYP2D6 72/4885HIF1A 4750/4885ALDH1A1 96/4885
US-20140296169-A1 ISOTHIAZOLOPYRIDINE-2-CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS TGM2, TGM1, TGM6 CYP2D6 572/4885HIF1A 3443/4885ALDH1A1 842/4885

“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.