SCHEMBL5032509

SCHEMBL5032509

O=C(c1csc(N(C(=O)c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)n1)N1CCSCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP3A4 P08684 2/20 0.39
TRPC3 Q13507 2/20 0.38
TRPC6 Q9Y210 2/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CNR1 P21554 1/20 0.37
PTGS2 P35354 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
HTR2C P28335 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
P2RX7 Q99572 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL5032552 0.92 NPC1 (0.45) HPGDALDH1A1HSD17B10CYP3A4TRPC3
SCHEMBL5035137 0.92 CYP3A4 (0.43) HPGDALDH1A1HSD17B10CYP3A4TRPC3
SCHEMBL5032533 0.90 HTR2C (0.42) HPGDALDH1A1HSD17B10TRPC3TRPC6
SCHEMBL5032685 0.89 GABRA2 (0.46) HPGDALDH1A1HSD17B10CYP3A4TRPC3
SCHEMBL5032522 0.89 HTR2C (0.48) HPGDNPC1RAB9AKMT2AMEN1
SCHEMBL5035187 0.89 NPC1 (0.41) HPGDALDH1A1TRPC3TRPC6NPC1
SCHEMBL5032645 0.88 CYP3A4 (0.40) HPGDCYP3A4TRPC3TRPC6NPC1
SCHEMBL5034840 0.88 CYP3A4 (0.37) HPGDCYP3A4TRPC3TRPC6NPC1
SCHEMBL5034878 0.86 KMT2A (0.48) ALDH1A1RAB9AKMT2AMEN1PTGS2
SCHEMBL5032538 0.85 HTR2C (0.42) HPGDCYP3A4TRPC3TRPC6KMT2A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371751-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US claimed
EP-1694673-B1 THIAZOLE DERIVATES HOFFMANN LA ROCHE (CH) 2008-01-16 EP claimed
JP-2007513193-A 2007-05-24 JP claimed
EP-1694673-A1 NOVEL THIAZOLE DERIVATES F.HOFFMANN-LA ROCHE AG (CH) 2006-08-30 EP claimed
US-20050153962-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2005-07-14 US claimed
WO-2005058887-A1 NOVEL THIAZOLE DERIVATES F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO claimed
US-7371751-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US disclosed
US-7371751-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US disclosed
US-7371751-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US disclosed
EP-1694673-B1 THIAZOLE DERIVATES HOFFMANN LA ROCHE (CH) 2008-01-16 EP disclosed
US-20050153962-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2005-07-14 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-20050153962-A1 Thiazole derivatives CNR1, CNR2, GPR119 HPGD 1922/4885ALDH1A1 473/4885HSD17B10 921/4885

“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.