SCHEMBL1207775

SCHEMBL1207775

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
KDM4E B2RXH2 4/20 0.47
HPGD P15428 4/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
MAPT P10636 5/20 0.41
HSD17B10 Q99714 4/20 0.41
TP53 P04637 3/20 0.41
POLB P06746 3/20 0.41
CASP3 P42574 1/20 0.41
ESR2 Q92731 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MCL1 Q07820 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALOX15 P16050 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
SCHEMBL1207159 0.92 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL1208559 0.91 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL1209103 0.90 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL1208184 0.90 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL12883721 0.89 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL1209121 0.89 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL1209650 0.89 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL1207879 0.88 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL1207023 0.87 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL1207354 0.87 ALDH1A1 (0.42) 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 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.