SCHEMBL5032544

SCHEMBL5032544

COc1ccc(N(C(=O)c2ccc(Cl)cc2Cl)c2nc(C(=O)N3CCC(O)CC3)cs2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.42
TRPC6 Q9Y210 6/20 0.40
TRPC3 Q13507 5/20 0.40
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
LRRK2 Q5S007 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 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
SCHEMBL5034700 0.95 RAB9A (0.38) HTR2CTRPC6TRPC3LRRK2KMT2A
SCHEMBL5035125 0.92 KMT2A (0.43) HTR2CKMT2AGAAMAPK1ATM
SCHEMBL27664741 0.91 HTR2C (0.47) HTR2CTRPC6TRPC3LRRK2POLB
SCHEMBL5032473 0.91 RAB9A (0.42) KMT2AGAARAB9ANPC1LMNA
SCHEMBL5035159 0.91 LRRK2 (0.38) HTR2CTRPC6TRPC3LRRK2KMT2A
SCHEMBL5035165 0.91 LRRK2 (0.38) HTR2CTRPC6TRPC3LRRK2KMT2A
SCHEMBL14190194 0.91 LRRK2 (0.38) HTR2CTRPC6TRPC3LRRK2KMT2A
SCHEMBL5035187 0.90 NPC1 (0.41) TRPC6TRPC3KMT2AGAAMAPK1
SCHEMBL5034572 0.90 LMNA (0.40) KMT2AGAAMAPK1ATMRAB9A
SCHEMBL5032565 0.89 NPC1 (0.45) HTR2CKMT2AMAPK1RAB9ANPC1

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 276/4885TRPC6 297/4885TRPC3 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.