SCHEMBL544880

SCHEMBL544880

Nc1ccsc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.42
ALDH1A1 P00352 8/20 0.41
HSD17B10 Q99714 3/20 0.41
MAPT P10636 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
KMT2A Q03164 3/20 0.41
ALOX15 P16050 2/20 0.41
PTGS2 P35354 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
PDPK1 O15530 1/20 0.40
ADORA2A P29274 1/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
USP2 O75604 1/20 0.39
HSP90AA1 P07900 1/20 0.39

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
SCHEMBL2011068 0.81 KCNH2 (0.50) TDO2ALDH1A1HSD17B10MAPTKMT2A
SCHEMBL27662362 0.80 MEN1 (0.51) ALDH1A1HSD17B10MAPTKMT2AMAPK1
SCHEMBL4952546 0.79 CYP3A4 (0.50) ALDH1A1HSD17B10MAPTCYP1A2CYP2D6
SCHEMBL3715393 0.79 CES1 (0.39) ALDH1A1HSD17B10MAPTKMT2AALOX15
SCHEMBL7457943 0.77 CASP3 (0.41) ALDH1A1HSD17B10MAPTCYP1A2KMT2A
SCHEMBL8289756 0.77 PTGS1 (0.31) PTGS2
SCHEMBL7461445 0.77 PTGS2 (0.46) ALDH1A1HSD17B10MAPTCYP2C19ALOX15
SCHEMBL4197618 0.77 MAPK14 (0.50) ALDH1A1HSD17B10CYP1A2CYP2C19PTGS2
SCHEMBL17227441 0.76 KMT2A (0.41) TDO2ALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL13617123 0.76 ALDH1A1 (0.45) ALDH1A1HSD17B10MAPTKMT2ATP53

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119411112-A Surface treatment method for improving corrosion resistance of steel surface 佛山市义众金属材料有限公司 2025-02-11 CN claimed
US-11121327-B2 Spiro-condensed lactam compounds for organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-09-14 US disclosed
US-20200208285-A1 ELECTROLYTIC SN OR SN ALLOY PLATING SOLUTION AND METHOD FOR PRODUCING SN OR SN ALLOY PLATED ARTICLE UEMURA KOGYO KK (JP) 2020-07-02 US disclosed
US-9708340-B2 Urea derivatives and their use as fatty-acid binding protein (FABP) inhibitors HOFFMANN-LA ROCHE INC. (US) 2017-07-18 US disclosed
US-20160372681-A1 SPIRO-CONDENSED LACTAM COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-12-22 US disclosed
US-20160185795-A1 UREA DERIVATIVES AND THEIR USE AS FATTY-ACID BINDING PROTEIN (FABP) INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2016-06-30 US disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 US disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 US disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 US disclosed
EP-1778718-B1 INHIBITORS OF IAP GENENTECH INC (US) 2014-10-08 EP disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 US disclosed
EP-1778718-A1 INHIBITORS OF IAP Genentech, Inc. (US) 2007-05-02 EP disclosed
WO-2006014361-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2006-02-09 WO disclosed
US-20060014700-A1 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2006-01-19 US disclosed
EP-0737682-B1 Substituted thiophene derivative and agricultural and horticultural fungicide containing the same as active ingredient MITSUI CHEMICALS INC (JP) 2002-01-09 EP disclosed
CN-1061657-C Substituted thiophene derivative and agricultural and horticultural fungicide containing the same as active ingredient MITSUI TOATSU CHEMICALS (JP) 2001-02-07 CN disclosed
US-5747518-A EFFECTIVE AGAINST CHEMICAL RESISTANT FUNGI; NONPHYTOTOXIC TO CROPS MITSUI TOATSU CHEMICALS, INC. (JP) 1998-05-05 US disclosed
CN-1146993-A Substituted thiophene derivative and agricultural and horticultural fungicide containing the same as active ingredient MITSUI TOATSU CHEMICALS (JP) 1997-04-09 CN disclosed
EP-0737682-A1 Substituted thiophene derivative and agricultural and horticultural fungicide containing the same as active ingredient MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1996-10-16 EP 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-20160185795-A1 UREA DERIVATIVES AND THEIR USE AS FATTY-ACID BINDING PROTEIN (FABP) INHIBITORS FABP1, FABP5, FABP2 TDO2 4272/4885ALDH1A1 689/4885HSD17B10 900/4885
US-11121327-B2 Spiro-condensed lactam compounds for organic electroluminescent devices PORCN, COASY, AAAS TDO2 4016/4885ALDH1A1 2105/4885HSD17B10 1772/4885
US-20060014700-A1 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies BIRC5, BIRC2, XIAP TDO2 3929/4885ALDH1A1 2930/4885HSD17B10 4602/4885
US-20160372681-A1 SPIRO-CONDENSED LACTAM COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES PORCN, COASY, AAAS TDO2 4016/4885ALDH1A1 2105/4885HSD17B10 1772/4885

“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.