SCHEMBL5032645

SCHEMBL5032645

O=C(c1csc(N(C(=O)c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)n1)N1CC=CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.40
TRPC3 Q13507 2/20 0.35
TRPC6 Q9Y210 2/20 0.35
P2RX7 Q99572 2/20 0.35
KMT2A Q03164 2/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
TNF P01375 1/20 0.34
NOD2 Q9HC29 1/20 0.34
NOD1 Q9Y239 1/20 0.34
MEN1 O00255 1/20 0.34
CNR1 P21554 1/20 0.34
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PTGER1 P34995 1/20 0.33
HTR2C P28335 2/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL27664665 0.90 KDM4E (0.40) TRPC3TRPC6NPC1RAB9AKDM4E
SCHEMBL5032552 0.90 NPC1 (0.45) CYP3A4TRPC3TRPC6KMT2ANPC1
SCHEMBL5035137 0.90 CYP3A4 (0.43) CYP3A4TRPC3TRPC6P2RX7KMT2A
SCHEMBL5032509 0.88 HPGD (0.42) CYP3A4TRPC3TRPC6P2RX7KMT2A
SCHEMBL5032685 0.87 GABRA2 (0.46) CYP3A4TRPC3TRPC6P2RX7KMT2A
SCHEMBL5032522 0.87 HTR2C (0.48) KMT2ANPC1RAB9AMEN1KDM4E
SCHEMBL5034840 0.85 CYP3A4 (0.37) CYP3A4TRPC3TRPC6P2RX7KMT2A
SCHEMBL5032540 0.85 HTR2C (0.42) CYP3A4TRPC3TRPC6P2RX7KMT2A
SCHEMBL5032717 0.85 HTR2C (0.42) CYP3A4TRPC3TRPC6P2RX7KMT2A
SCHEMBL5032538 0.85 HTR2C (0.42) CYP3A4TRPC3TRPC6P2RX7KMT2A

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 CYP3A4 693/4885TRPC3 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.