SCHEMBL12895428

SCHEMBL12895428

Cc1cc(CNC(=O)OCC2CCc3c(sc(NC(=O)/C=C/c4cccnc4)c3C#N)C2)no1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
KDM4E B2RXH2 6/20 0.47
HPGD P15428 6/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
PTPN5 P54829 1/20 0.45
POLB P06746 5/20 0.41
MAPT P10636 5/20 0.41
HSD17B10 Q99714 4/20 0.41
TP53 P04637 2/20 0.41
CASP3 P42574 1/20 0.41
ESR2 Q92731 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
HTT P42858 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
TGFBR1 P36897 1/20 0.39
THRB P10828 1/20 0.39
KCNH2 Q12809 1/20 0.38

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
SCHEMBL12883785 1.00 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL1208352 1.00 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL1219195 1.00 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
Hydrochloric Acid SCHEMBL1208904 0.99 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL12895698 0.91 MAPT (0.38) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL12895490 0.91 MAPT (0.38) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL1209109 0.90 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL12895502 0.90 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL1208250 0.90 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL12882628 0.90 ALDH1A1 (0.47) 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.