SCHEMBL5032542

SCHEMBL5032542

O=C(c1cnc(N(C(=O)c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)s1)N1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
CNR1 P21554 2/20 0.41
CYP3A4 P08684 2/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
P2RX7 Q99572 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 3/20 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
SCHEMBL5034874 0.92 HPGD (0.42) HPGDPPARGNCOA2NCOA1NCOA3
SCHEMBL5034838 0.91 LMNA (0.46) HPGDPPARGNCOA2NCOA1NCOA3
SCHEMBL5035256 0.88 KMT2A (0.41) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL5035896 0.87 CYP3A4 (0.39) HPGDPPARGNCOA2NCOA1NCOA3
SCHEMBL5034720 0.85 HSD11B1 (0.46) HPGDPPARGNCOA2NCOA1NCOA3
SCHEMBL5038720 0.84 CNR1 (0.45) CNR1
SCHEMBL5035193 0.84 HPGD (0.47) HPGDPPARGNCOA2NCOA1NCOA3
SCHEMBL27643373 0.82 ALDH1A1 (0.42) HPGDCYP3A4RAB9ANPSR1POLB
SCHEMBL5035182 0.82 CYP3A4 (0.39) HPGDPPARGNCOA2NCOA1NCOA3
SCHEMBL14190193 0.82 CYP3A4 (0.39) HPGDPPARGNCOA2NCOA1NCOA3

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 14 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-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 HPGD 1922/4885PPARG 33/4885NCOA2 375/4885

“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.