SCHEMBL1607736

SCHEMBL1607736

c1csc(C2CNCC[N]2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 3/20 0.39
NOS3 P29474 2/20 0.39
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NISCH Q9Y2I1 1/20 0.35
KDM4E B2RXH2 4/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BCHE P06276 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
POLB P06746 2/20 0.32
GAA P10253 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
SCHEMBL8551454 0.75
SCHEMBL1607054 0.74 NOS3 (0.41) NOS2NOS3ALDH1A1KDM4EHPGD
SCHEMBL1607683 0.73 NOS3 (0.40) NOS2NOS3ALDH1A1KDM4EMAPT
SCHEMBL571789 0.72 SLC18A3 (0.41) ALDH1A1NISCHKDM4EHPGDMAPT
SCHEMBL5744613 0.71 SLC6A4 (0.38) MEN1KMT2A
SCHEMBL878092 0.70 RECQL (0.34) ALDH1A1NISCHKDM4EMAPTHSD17B10
SCHEMBL845066 0.70 CHRM2 (0.38) NOS2NOS3
SCHEMBL4590823 0.70 HCAR2 (0.31) HCAR2
SCHEMBL1606746 0.70 NOS3 (0.38) NOS2NOS3ALDH1A1MEN1KMT2A
SCHEMBL844367 0.68 CES2 (0.41) ALDH1A1MEN1KMT2AHPGDMAPT

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 NOS2 4563/4885NOS3 4452/4885ALDH1A1 1705/4885

“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.