SCHEMBL1209330

SCHEMBL1209330

CCOc1ccccc1CCC(=O)Nc1sc2c(c1C#N)CCC(OC(=O)NCc1ccno1)C2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
ALDH1A1 P00352 6/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL14292409 0.90 TP53 (0.37) MAPTALDH1A1LMNATP53THRB
SCHEMBL1207057 0.89 MAPT (0.45) MAPTALDH1A1ALOX15HSD17B10LMNA
SCHEMBL1207551 0.89 MAPT (0.43) MAPTALDH1A1ALOX15HSD17B10LMNA
SCHEMBL1208598 0.89 MAPT (0.44) MAPTALDH1A1ALOX15HSD17B10LMNA
SCHEMBL1209401 0.89 MAPT (0.44) MAPTALDH1A1ALOX15HSD17B10LMNA
SCHEMBL1207465 0.88 MAPT (0.47) MAPTALDH1A1ALOX15HSD17B10LMNA
SCHEMBL1207555 0.88 MAPT (0.49) MAPTALDH1A1ALOX15HSD17B10LMNA
SCHEMBL1208781 0.88 ALDH1A1 (0.47) MAPTALDH1A1ALOX15HSD17B10LMNA
SCHEMBL1208815 0.88 MAPT (0.43) MAPTALDH1A1ALOX15HSD17B10LMNA
SCHEMBL1208860 0.87 MAPT (0.42) MAPTALDH1A1ALOX15HSD17B10LMNA

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 3 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
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 MAPT 865/4885ALDH1A1 316/4885ALOX15 1421/4885

“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.