SCHEMBL1209708

SCHEMBL1209708

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
KDM4E B2RXH2 4/20 0.46
HPGD P15428 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 5/20 0.43
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
TP53 P04637 3/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MCL1 Q07820 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD17B10 Q99714 4/20 0.40
CASP3 P42574 1/20 0.40
ESR2 Q92731 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
THRB P10828 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
SCHEMBL14293218 0.94 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL1208781 0.90 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL1208854 0.90 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL1209457 0.89 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL1207099 0.89 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL1208449 0.89 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL1209448 0.89 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL1207711 0.88 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL1207696 0.88 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL12895665 0.88 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A

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.