SCHEMBL5032495

SCHEMBL5032495

CCN(C)C(=O)c1nc(N(C(=O)c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)sc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.51
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
PCTP Q9UKL6 1/20 0.36
STARD10 Q9Y365 1/20 0.36
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 2/20 0.34
THRB P10828 1/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL5039043 0.92 CYP3A4 (0.46) CYP3A4CNR1CNR2GABRA2GABRB2
SCHEMBL5032684 0.91 CYP3A4 (0.52) CYP3A4CNR1CNR2GABRA2GABRB2
SCHEMBL5032545 0.90 CYP3A4 (0.44) CYP3A4CNR1CNR2PCTPSTARD10
SCHEMBL5034805 0.89 CYP3A4 (0.42) CYP3A4ALDH1A1LMNAMAPTKMT2A
SCHEMBL5038792 0.88 CYP3A4 (0.47) CYP3A4CNR1CNR2GABRA2GABRB2
SCHEMBL5032607 0.87 CYP3A4 (0.48) CYP3A4CNR1CNR2GABRA2GABRB2
SCHEMBL5035959 0.87 CYP3A4 (0.41) CYP3A4CNR1CNR2PCTPSTARD10
SCHEMBL5035943 0.86 CYP3A4 (0.47) CYP3A4CNR1CNR2ALDH1A1L3MBTL1
SCHEMBL5035297 0.86 CYP3A4 (0.43) CYP3A4PCTPSTARD10ALDH1A1L3MBTL1
SCHEMBL5035843 0.85 CYP3A4 (0.47) CYP3A4CNR1CNR2GABRA2GABRB2

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 693/4885CNR1 1/4885CNR2 2/4885

“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.