SCHEMBL5032654

SCHEMBL5032654

COc1cc(N(C(=O)c2ccc(Cl)cc2Cl)c2nc(C(=O)N3CCOCC3)c(C)s2)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.43
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 2/20 0.38
CNR2 P34972 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
CFTR P13569 2/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
CNR1 P21554 1/20 0.37
LRRK2 Q5S007 3/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL5032530 0.95 HTR2C (0.43) HTR2CKDM4EL3MBTL1ALDH1A1HPGD
SCHEMBL5035249 0.93 LMNA (0.38) CNR2NPC1RAB9ALMNAMAPT
SCHEMBL5035027 0.90 HTR2C (0.48) HTR2CKDM4EL3MBTL1ALDH1A1HPGD
SCHEMBL5035881 0.88 KMT2A (0.39) ALDH1A1HPGDCNR2NPC1RAB9A
SCHEMBL5032570 0.87 CNR1 (0.40) KDM4EALDH1A1CNR2LMNAMAPT
SCHEMBL5032576 0.87 CNR1 (0.40) KDM4EALDH1A1CNR2LMNAMAPT
SCHEMBL5032532 0.86 NPC1 (0.37) KDM4EALDH1A1NPC1RAB9ALMNA
SCHEMBL27664670 0.86 HTR2C (0.47) HTR2CKDM4EALDH1A1HPGDCNR2
SCHEMBL5032537 0.84 CYP3A4 (0.38) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL5035014 0.83 TRPC3 (0.41) KDM4EALDH1A1HPGDNPC1RAB9A

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 HTR2C 276/4885KDM4E 3200/4885L3MBTL1 2979/4885

“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.