SCHEMBL1208781

SCHEMBL1208781

CCOc1ccccc1CCC(=O)Nc1sc2c(c1C#N)CCC(OC(=O)NCc1cc(C)on1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
KDM4E B2RXH2 4/20 0.47
HPGD P15428 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MAPT P10636 7/20 0.43
ALOX15 P16050 2/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 5/20 0.41
TP53 P04637 4/20 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
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.40

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
SCHEMBL14293174 0.93 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL1209708 0.90 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL12895467 0.90 TP53 (0.38) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL1209570 0.90 MAPT (0.43) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL1207057 0.89 MAPT (0.45) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL1207551 0.89 MAPT (0.43) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL1207360 0.89 MAPT (0.43) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL1207465 0.88 MAPT (0.47) ALDH1A1HPGDNPC1RAB9AMAPT
SCHEMBL1207555 0.88 MAPT (0.49) ALDH1A1NPC1RAB9AMAPTALOX15
SCHEMBL1209330 0.88 MAPT (0.43) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1

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 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.