SCHEMBL5035125

SCHEMBL5035125

COc1ccc(N(C(=O)c2ccc(Cl)cc2Cl)c2nc(C(=O)N3CCCC3)cs2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
NPC1 O15118 7/20 0.42
RAB9A P51151 7/20 0.42
HPGD P15428 2/20 0.41
MEN1 O00255 2/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
F10 P00742 1/20 0.39
HTR2C P28335 1/20 0.38
SCN9A Q15858 3/20 0.38
KCNH2 Q12809 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 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
SCHEMBL5034712 0.95 KMT2A (0.40) KMT2ANPC1RAB9AHPGDMEN1
SCHEMBL5034572 0.93 LMNA (0.40) KMT2ANPC1RAB9AHPGDMEN1
SCHEMBL5035187 0.93 NPC1 (0.41) KMT2ANPC1RAB9AHPGDMEN1
SCHEMBL5032565 0.93 NPC1 (0.45) KMT2ANPC1RAB9AHPGDHTR2C
SCHEMBL5032544 0.92 HTR2C (0.42) KMT2ANPC1RAB9AHTR2CGAA
SCHEMBL5032473 0.91 RAB9A (0.42) KMT2ANPC1RAB9AGAAALDH1A1
SCHEMBL5032648 0.91 ALDH1A1 (0.48) KMT2ANPC1RAB9AHPGDALDH1A1
SCHEMBL5032534 0.90 NPC1 (0.44) KMT2ANPC1RAB9AHPGDMEN1
SCHEMBL5034700 0.89 RAB9A (0.38) KMT2ANPC1RAB9AHTR2CGAA
SCHEMBL5032552 0.88 NPC1 (0.45) KMT2ANPC1RAB9AHPGDMEN1

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 KMT2A 3489/4885NPC1 313/4885RAB9A 1847/4885

“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.