SCHEMBL5035140

SCHEMBL5035140

COc1ccc(N(C(=O)c2ccc(Cl)cc2Cl)c2nc(C(=O)N3CCCC3C)cs2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
TRPC3 Q13507 2/20 0.39
TRPC6 Q9Y210 2/20 0.39
LRRK2 Q5S007 1/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
HPGD P15428 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SCD O00767 1/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CRHBP P24387 2/20 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
SCHEMBL5034701 0.95 HSD11B1 (0.41) HSD11B1TRPC3TRPC6LRRK2NPC1
SCHEMBL5035129 0.91 TRPC3 (0.40) TRPC3TRPC6LRRK2NPC1RAB9A
SCHEMBL5034736 0.90 HSD11B1 (0.45) HSD11B1TRPC3TRPC6NPC1RAB9A
SCHEMBL5032609 0.89 DPP4 (0.43) HSD11B1NPC1RAB9ASCDHCRTR1
SCHEMBL5032615 0.89 DPP4 (0.43) HSD11B1NPC1RAB9ASCDHCRTR1
SCHEMBL5032560 0.88 HSD11B1 (0.49) HSD11B1TRPC3TRPC6NPC1RAB9A
SCHEMBL5032648 0.88 ALDH1A1 (0.48) TRPC3TRPC6NPC1RAB9AHPGD
SCHEMBL5035125 0.87 KMT2A (0.43) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL5032473 0.86 RAB9A (0.42) NPC1RAB9AALDH1A1LMNAKDM4E
SCHEMBL5032544 0.86 HTR2C (0.42) TRPC3TRPC6LRRK2NPC1RAB9A

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 798/4885TRPC3 151/4885TRPC6 297/4885

“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.