SCHEMBL1209503

SCHEMBL1209503

Cc1nn(C)cc1CNC(=O)OC1CCc2c(sc(NC(=O)CC(C)c3ccccn3)c2C#N)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
HTT P42858 3/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
POLB P06746 3/20 0.38
ALDH1A1 P00352 8/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TP53 P04637 1/20 0.38
MCL1 Q07820 1/20 0.38
STAT3 P40763 1/20 0.37
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL1209248 0.91 MAPT (0.41) MAPTSMN1; SMN2HTTNPC1RAB9A
SCHEMBL1209183 0.90 ALDH1A1 (0.42) MAPTSMN1; SMN2HTTNPC1RAB9A
SCHEMBL12895481 0.90 HTT (0.32) MAPTSMN1; SMN2HTTNPC1RAB9A
SCHEMBL1207642 0.88 MAPT (0.41) MAPTSMN1; SMN2HTTNPC1RAB9A
SCHEMBL1208704 0.88 MAPT (0.38) MAPTSMN1; SMN2HTTNPC1RAB9A
SCHEMBL1209725 0.86 MAPT (0.40) MAPTSMN1; SMN2HTTNPC1RAB9A
SCHEMBL1208271 0.85 ALDH1A1 (0.40) MAPTSMN1; SMN2NPC1RAB9APOLB
SCHEMBL14292980 0.84 MAPT (0.35) MAPTHTTNPC1RAB9APOLB
SCHEMBL1209603 0.84 MAPT (0.40) MAPTSMN1; SMN2HTTNPC1RAB9A
SCHEMBL1209160 0.83 MAPT (0.47) MAPTSMN1; SMN2HTTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES NYCOMED GMBH (DE) 2011-02-24 US 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-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES BAX, BCL2, BAD MAPT 865/4885SMN1; SMN2 2135/4885HTT 798/4885

“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.