SCHEMBL12895367

SCHEMBL12895367

Cc1cc(CNC(=O)OCC2CCc3c(sc(NC(=O)CC(C)c4ccccc4)c3N)C2)no1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TSHR P16473 3/20 0.35
KLK7 P49862 2/20 0.34
TNIK Q9UKE5 1/20 0.34
CYP3A4 P08684 2/20 0.34
MAPT P10636 3/20 0.34
HTT P42858 2/20 0.34
TP53 P04637 2/20 0.34
THRB P10828 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.34
MCL1 Q07820 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL12895472 0.93 ALDH1A1 (0.39) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL1207159 0.90 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL14293231 0.90 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL12895520 0.88 NPC1 (0.38) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL14293242 0.87 MEN1 (0.36) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL12895285 0.87 HPGD (0.36) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL12895690 0.85 RORC (0.34) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL12895689 0.85 MEN1 (0.36) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL12895693 0.85 RORC (0.39) ALDH1A1KDM4ESMN1; SMN2HPGDNPC1
SCHEMBL12895474 0.85 RORC (0.35) ALDH1A1KDM4EHPGDNPC1RAB9A

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 316/4885KDM4E 2054/4885SMN1; SMN2 2135/4885

“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.