SCHEMBL2464447

SCHEMBL2464447

C[C@H](/N=C/c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
MAPT P10636 2/20 0.54
HPGD P15428 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
KDM4E B2RXH2 1/20 0.54
USP2 O75604 1/20 0.54
POLB P06746 1/20 0.54
GAA P10253 1/20 0.54
ALOX15 P16050 1/20 0.54
ALOX12 P18054 1/20 0.54
RECQL P46063 1/20 0.54
HSD17B10 Q99714 1/20 0.54
NPSR1 Q6W5P4 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.46
MIF P14174 2/20 0.45
HTT P42858 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NOS2 P35228 1/20 0.42

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
SCHEMBL2464450 1.00 ALDH1A1 (0.54) ALDH1A1MAPTHPGDTDP1KDM4E
SCHEMBL3149789 1.00 ALDH1A1 (0.54) ALDH1A1MAPTHPGDTDP1KDM4E
SCHEMBL15434186 1.00 ALDH1A1 (0.54) ALDH1A1MAPTHPGDTDP1KDM4E
SCHEMBL11347523 1.00 ALDH1A1 (0.54) ALDH1A1MAPTHPGDTDP1KDM4E
SCHEMBL14860293 1.00 ALDH1A1 (0.54) ALDH1A1MAPTHPGDTDP1KDM4E
SCHEMBL14860642 0.88 MAPT (0.49) ALDH1A1MAPTHPGDTDP1KDM4E
SCHEMBL14860826 0.88 MAPT (0.49) ALDH1A1MAPTHPGDTDP1KDM4E
SCHEMBL27974851 0.88 MAPT (0.49) ALDH1A1MAPTHPGDTDP1KDM4E
SCHEMBL14860641 0.88 MAPT (0.49) ALDH1A1MAPTHPGDTDP1KDM4E
SCHEMBL14860827 0.88 MAPT (0.49) ALDH1A1MAPTHPGDTDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557726-B2 Chiral heterogeneous catalyst for assymmetric nitroaldol reaction COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-10-15 US claimed
US-20130096333-A1 Chiral Heterogeneous Catalyst for Assymmetric Nitroaldol Reaction COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-04-18 US claimed
EP-2544818-A1 CHIRAL HETEROGENEOUS CATALYST FOR ASYMMETRIC NITROALDOL REACTION Council of Scientific & Industrial Research (IN) 2013-01-16 EP claimed
WO-2011110895-A1 CHIRAL HETEROGENEOUS CATALYST FOR ASYMMETRIC NITROALDOL REACTION COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-09-15 WO claimed
US-8557726-B2 Chiral heterogeneous catalyst for assymmetric nitroaldol reaction COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-10-15 US disclosed
US-8518975-B2 Gamma secretase modulators Merck Sharp + Dohme Corp. (US) 2013-08-27 US disclosed
US-8518975-B2 Gamma secretase modulators Merck Sharp + Dohme Corp. (US) 2013-08-27 US disclosed
US-8450343-B2 Gamma secretase modulators SCHERING CORPORATION 2013-05-28 US disclosed
US-8450343-B2 Gamma secretase modulators SCHERING CORPORATION 2013-05-28 US disclosed
US-20130096333-A1 Chiral Heterogeneous Catalyst for Assymmetric Nitroaldol Reaction COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-04-18 US disclosed
US-20120245158-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-09-27 US disclosed
US-20120245158-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-09-27 US disclosed
US-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 US disclosed
WO-2010147969-A2 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2010-12-23 WO disclosed
WO-2010147975-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2010-12-23 WO disclosed
WO-2010147973-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2010-12-23 WO disclosed
US-20100298359-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2010-11-25 US disclosed
US-20100298359-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2010-11-25 US disclosed
WO-2009073777-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-06-11 WO disclosed
WO-2009032277-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-03-12 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 (3 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-20100298359-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ALDH1A1 2217/4885MAPT 318/4885HPGD 2475/4885
US-20120245158-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ALDH1A1 1670/4885MAPT 386/4885HPGD 1968/4885
US-20110015190-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ALDH1A1 2217/4885MAPT 318/4885HPGD 2475/4885

“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.