SCHEMBL5032685

SCHEMBL5032685

CN1CCN(C(=O)c2csc(N(C(=O)c3ccc(Cl)cc3Cl)c3ccc(Cl)cc3)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
HRH4 Q9H3N8 6/20 0.43
HRH3 Q9Y5N1 3/20 0.43
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALPL P05186 1/20 0.40
P2RX7 Q99572 1/20 0.40
TRPC3 Q13507 2/20 0.39
TRPC6 Q9Y210 2/20 0.39
HRH1 P35367 1/20 0.39
KMT2A Q03164 1/20 0.38
HPGD P15428 2/20 0.38

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
SCHEMBL5035137 0.91 CYP3A4 (0.43) TP53ALOX15ALDH1A1NPC1RAB9A
SCHEMBL5032552 0.91 NPC1 (0.45) ALOX15ALDH1A1NPC1RAB9ACYP3A4
SCHEMBL5034664 0.90 KMT2A (0.47) GABRA2GABRB2LMNATP53ALOX15
SCHEMBL5034572 0.90 LMNA (0.40) GABRA2GABRB2LMNATP53ALOX15
SCHEMBL5032509 0.89 HPGD (0.42) TP53ALOX15ALDH1A1NPC1RAB9A
SCHEMBL5032522 0.89 HTR2C (0.48) LMNATP53NPC1RAB9AALPL
SCHEMBL5032645 0.87 CYP3A4 (0.40) TP53NPC1RAB9ACYP3A4P2RX7
SCHEMBL5034878 0.87 KMT2A (0.48) LMNAALOX15TSHRPOLBALDH1A1
SCHEMBL5034840 0.87 CYP3A4 (0.37) TP53NPC1RAB9ACYP3A4P2RX7
SCHEMBL14190186 0.86 CNR1 (0.44) LMNAHRH4ALDH1A1RAB9ACYP3A4

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 GABRA2 443/4885GABRB2 457/4885LMNA 4010/4885

“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.