SCHEMBL1207707

SCHEMBL1207707

COc1cccc(CCC(=O)Nc2sc3c(c2C#N)CCC(OC(=O)NCc2cc(C)on2)C3)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
KDM4E B2RXH2 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
HPGD P15428 3/20 0.47
MAPT P10636 3/20 0.41
HSD17B10 Q99714 3/20 0.41
TP53 P04637 2/20 0.41
POLB P06746 1/20 0.41
CASP3 P42574 1/20 0.41
ESR2 Q92731 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
GRM1 Q13255 1/20 0.39
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
SCHEMBL1207083 0.91 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL1208375 0.90 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL1207900 0.90 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL1207085 0.89 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL1208922 0.89 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL1207338 0.89 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL1207895 0.88 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1209595 0.87 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4EHPGDMAPT
SCHEMBL1208184 0.87 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL1208830 0.87 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD

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.