SCHEMBL1607474

SCHEMBL1607474

c1coc([C]2NCCS2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.44
ALDH1A1 P00352 8/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HPGD P15428 4/20 0.38
POLB P06746 3/20 0.38
MAPT P10636 3/20 0.38
HSD17B10 Q99714 3/20 0.38
KDM4E B2RXH2 3/20 0.38
PKM P14618 2/20 0.38
ALOX15 P16050 2/20 0.38
CASP1 P29466 2/20 0.38
PTPN7 P35236 2/20 0.38
RECQL P46063 2/20 0.38
BLM P54132 2/20 0.38
CASP7 P55210 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL6519271 0.69 NISCH (0.52) NISCHALDH1A1MEN1KMT2AHPGD
SCHEMBL1799678 0.65 ALDH1A1 (0.63) NISCHALDH1A1MEN1KMT2AHPGD
SCHEMBL1607063 0.63 ALDH1A1 (0.39) NISCHALDH1A1MEN1KMT2AHPGD
SCHEMBL6909709 0.63 NISCH (0.46) NISCHALDH1A1MEN1KMT2AHPGD
SCHEMBL21663998 0.61 NISCH (0.44) NISCHALDH1A1MEN1KMT2AHPGD
SCHEMBL498016 0.60
Piperazine SCHEMBL3365003 0.60 TAAR1 (0.50) NISCHALDH1A1MEN1KMT2AHPGD
SCHEMBL29952415 0.60
SCHEMBL10750300 0.59 ALDH1A1 (0.39) NISCHALDH1A1MEN1KMT2AHPGD
SCHEMBL394300 0.59 TAAR1 (0.76) ALDH1A1MEN1KMT2AHPGDPOLB

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-8518975-B2 Gamma secretase modulators Merck Sharp + Dohme Corp. (US) 2013-08-27 US disclosed
US-20110082153-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-04-07 US disclosed
EP-2200990-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2010-06-30 EP 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 (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-20110082153-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 NISCH 4726/4885ALDH1A1 1705/4885MEN1 3513/4885

“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.