SCHEMBL1209397

SCHEMBL1209397

Cc1cc(CNC(=O)OCC2CCc3c(sc(NC(=O)CCc4cccnc4)c3C#N)C2)on1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 4/20 0.41
TP53 P04637 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
MCL1 Q07820 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD17B10 Q99714 3/20 0.40
LMNA P02545 2/20 0.40
ALOX15 P16050 2/20 0.40
HTT P42858 1/20 0.39
MAPK1 P28482 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
SCHEMBL14293351 0.91 RAB9A (0.38) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL1208581 0.91 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL1209984 0.89 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL1207199 0.88 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KDM4EMAPTTP53
SCHEMBL1207737 0.87 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL1207266 0.87 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL1207787 0.87 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL1207264 0.87 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL1207505 0.85 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL1207755 0.84 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4EHPGDRAB9A

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.