SCHEMBL5035159

SCHEMBL5035159

COc1cc(N(C(=O)c2ccc(Cl)cc2Cl)c2nc(C(=O)N3CC[C@@H](O)C3)cs2)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.38
HTR2C P28335 1/20 0.37
TRPC3 Q13507 3/20 0.36
TRPC6 Q9Y210 3/20 0.36
PKM P14618 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 2/20 0.34
GFER P55789 1/20 0.34
HCRTR1 O43613 3/20 0.34
HCRTR2 O43614 3/20 0.34
CCNK O75909 1/20 0.34
CDK12 Q9NYV4 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
SCHEMBL14190194 1.00 LRRK2 (0.38) LRRK2HTR2CTRPC3TRPC6PKM
SCHEMBL5035165 1.00 LRRK2 (0.38) LRRK2HTR2CTRPC3TRPC6PKM
SCHEMBL5034700 0.95 RAB9A (0.38) LRRK2HTR2CTRPC3TRPC6PKM
SCHEMBL5032473 0.91 RAB9A (0.42) PKMRAB9ANPC1KMT2AGFER
SCHEMBL5032544 0.91 HTR2C (0.42) LRRK2HTR2CTRPC3TRPC6RAB9A
SCHEMBL5032540 0.89 HTR2C (0.42) HTR2CTRPC3TRPC6PKMKMT2A
SCHEMBL5032717 0.89 HTR2C (0.42) HTR2CTRPC3TRPC6PKMKMT2A
SCHEMBL5032538 0.89 HTR2C (0.42) HTR2CTRPC3TRPC6PKMKMT2A
SCHEMBL5034712 0.89 KMT2A (0.40) HTR2CRAB9ANPC1KMT2A
SCHEMBL5032576 0.85 CNR1 (0.40) LRRK2KMT2AHCRTR1HCRTR2

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
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 LRRK2 2028/4885HTR2C 276/4885TRPC3 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.