SCHEMBL2298196

SCHEMBL2298196

CCOC(=O)CCS(=O)(=O)Nc1nn(C(=O)O)c2ccc(C3C(C#N)=C(C)NC(C)=C3C#N)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 4/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
CASP1 P29466 1/20 0.42
MET P08581 4/20 0.38
RPS6KA3 P51812 1/20 0.38
CACNA1C Q13936 2/20 0.34
MAPK1 P28482 2/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL2298794 0.90 GABRA1 (0.43) GABRA1TMEM97ALDH1A1HSD17B10KDM4E
SCHEMBL1415170 0.90 GABRA1 (0.49) GABRA1TMEM97ALDH1A1HSD17B10KDM4E
SCHEMBL12386134 0.84 GABRA1 (0.38) GABRA1TMEM97ALDH1A1HSD17B10KDM4E
SCHEMBL2300557 0.82 MET (0.53) GABRA1TMEM97ALDH1A1HSD17B10KDM4E
SCHEMBL1414955 0.82 GABRA1 (0.46) GABRA1TMEM97ALDH1A1HSD17B10KDM4E
SCHEMBL1414950 0.81 GABRA1 (0.46) GABRA1TMEM97ALDH1A1HSD17B10KDM4E
SCHEMBL2051421 0.78 GABRA1 (0.52) GABRA1TMEM97ALDH1A1HSD17B10KDM4E
SCHEMBL12386166 0.75 MET (0.48) GABRA1TMEM97ALDH1A1HSD17B10KDM4E
SCHEMBL1414899 0.75 GABRA1 (0.52) GABRA1TMEM97ALDH1A1HSD17B10KDM4E
SCHEMBL12386137 0.75 GABRA1 (0.40) GABRA1TMEM97ALDH1A1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551989-B2 Substituted 4-(indazolyl)-1,4-dihydropyridines and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-08 US disclosed
EP-2294062-B1 SUBSTITUTED 4- (INDAZOLYL) -1,4-DIHYDROPYRIDINES AND METHODS OF USE THEREOF BAYER IP GMBH (DE) 2013-08-21 EP disclosed
US-20110207731-A1 SUBSTITUTED 4-(INDAZOLYL)-1,4-DIHYDROPYRIDINES AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-25 US disclosed
WO-2009149837-A1 SUBSTITUTED 4- (INDAZOLYL) -1,4-DIHYDROPYRIDINES AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-12-17 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-20110207731-A1 SUBSTITUTED 4-(INDAZOLYL)-1,4-DIHYDROPYRIDINES AND METHODS OF USE THEREOF MET, ERBB4, RET GABRA1 3260/4885TMEM97 999/4885ALDH1A1 266/4885

“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.