SCHEMBL5034701

SCHEMBL5034701

COc1cc(N(C(=O)c2ccc(Cl)cc2Cl)c2nc(C(=O)N3CCCC3C)cs2)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
HPGD P15428 5/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
TRPC3 Q13507 3/20 0.38
TRPC6 Q9Y210 3/20 0.38
LRRK2 Q5S007 1/20 0.38
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CRHBP P24387 2/20 0.34
CRHR2 Q13324 2/20 0.34
TRPA1 O75762 1/20 0.34
CACNA1C Q13936 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
SCHEMBL5035140 0.95 HSD11B1 (0.41) HSD11B1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL5034736 0.90 HSD11B1 (0.45) HSD11B1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL5032560 0.88 HSD11B1 (0.49) HSD11B1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL5034712 0.87 KMT2A (0.40) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5035129 0.87 TRPC3 (0.40) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5035014 0.85 TRPC3 (0.41) HSD11B1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL5032615 0.85 DPP4 (0.43) HSD11B1NPC1RAB9AHCRTR1HCRTR2
SCHEMBL5032609 0.85 DPP4 (0.43) HSD11B1NPC1RAB9AHCRTR1HCRTR2
SCHEMBL5035047 0.85 HSD11B1 (0.40) HSD11B1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL5035159 0.84 LRRK2 (0.38) NPC1RAB9ATRPC3TRPC6LRRK2

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 HSD11B1 798/4885HPGD 1922/4885NPC1 313/4885

“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.