SCHEMBL5032540

SCHEMBL5032540

O=C(c1csc(N(C(=O)c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)n1)N1CC[C@H](O)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.42
KMT2A Q03164 1/20 0.40
TRPC3 Q13507 3/20 0.39
TRPC6 Q9Y210 3/20 0.39
PKM P14618 1/20 0.38
CNR1 P21554 2/20 0.37
CNR2 P34972 1/20 0.37
HPGD P15428 1/20 0.37
ADORA2B P29275 1/20 0.37
CYP3A4 P08684 2/20 0.36
CCNK O75909 1/20 0.35
CDK12 Q9NYV4 1/20 0.35
PDE2A O00408 1/20 0.35
P2RX7 Q99572 1/20 0.34
MALT1 Q9UDY8 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
SCHEMBL5032717 1.00 HTR2C (0.42) HTR2CKMT2ATRPC3TRPC6PKM
SCHEMBL5032538 1.00 HTR2C (0.42) HTR2CKMT2ATRPC3TRPC6PKM
SCHEMBL5034842 0.91 HTR2C (0.46) HTR2CKMT2ATRPC3TRPC6HPGD
SCHEMBL5034827 0.90 EPHX2 (0.40) HTR2CKMT2ATRPC3TRPC6PKM
SCHEMBL5034825 0.90 EPHX2 (0.40) HTR2CKMT2ATRPC3TRPC6PKM
SCHEMBL5034700 0.89 RAB9A (0.38) HTR2CKMT2ATRPC3TRPC6PKM
SCHEMBL5035165 0.89 LRRK2 (0.38) HTR2CKMT2ATRPC3TRPC6PKM
SCHEMBL5035159 0.89 LRRK2 (0.38) HTR2CKMT2ATRPC3TRPC6PKM
SCHEMBL14190194 0.89 LRRK2 (0.38) HTR2CKMT2ATRPC3TRPC6PKM
SCHEMBL5032552 0.87 NPC1 (0.45) HTR2CKMT2ATRPC3TRPC6CNR1

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 13 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
EP-1694673-A1 NOVEL THIAZOLE DERIVATES F.HOFFMANN-LA ROCHE AG (CH) 2006-08-30 EP disclosed
US-20050153962-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2005-07-14 US disclosed
WO-2005058887-A1 NOVEL THIAZOLE DERIVATES F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO 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 HTR2C 276/4885KMT2A 3489/4885TRPC3 151/4885

“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.