SCHEMBL1208581

SCHEMBL1208581

Cc1cc(CNC(=O)OCC2CCc3c(sc(NC(=O)CCc4cccnc4)c3C#N)C2)no1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
KDM4E B2RXH2 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 4/20 0.41
MAPT P10636 4/20 0.41
TP53 P04637 3/20 0.41
POLB P06746 2/20 0.41
CASP3 P42574 1/20 0.41
ESR2 Q92731 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
THRB P10828 1/20 0.39

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
SCHEMBL1209397 0.91 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL14293349 0.91 TSHR (0.39) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL1207199 0.89 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KDM4EMAPTTP53
SCHEMBL1208375 0.89 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL1207266 0.88 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL1207264 0.88 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL1207787 0.88 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL1209650 0.87 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL1207505 0.87 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL1207755 0.85 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4ERAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES NYCOMED GMBH (DE) 2011-02-24 US disclosed
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 ALDH1A1 316/4885SMN1; SMN2 2135/4885KDM4E 2054/4885

“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.