SCHEMBL5032648

SCHEMBL5032648

COc1ccc(N(C(=O)c2ccc(Cl)cc2Cl)c2nc(C(=O)N3CCCC(C)C3)cs2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
NPSR1 Q6W5P4 1/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
GFER P55789 1/20 0.38
KMT2A Q03164 1/20 0.38
GRM5 P41594 2/20 0.38
POLB P06746 1/20 0.38
LPAR5 Q9H1C0 1/20 0.38
KDM4E B2RXH2 2/20 0.38
TRPC3 Q13507 2/20 0.38
TRPC6 Q9Y210 2/20 0.38
LMNA P02545 2/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL5032473 0.92 RAB9A (0.42) ALDH1A1RAB9ANPC1PKMGFER
SCHEMBL27664669 0.92 POLB (0.44) ALDH1A1RAB9ANPC1SMN1; SMN2GFER
SCHEMBL5035125 0.91 KMT2A (0.43) ALDH1A1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL5034700 0.89 RAB9A (0.38) ALDH1A1RAB9ANPC1PKMGFER
SCHEMBL5035140 0.88 HSD11B1 (0.41) ALDH1A1NPSR1RAB9ANPC1SMN1; SMN2
SCHEMBL5032544 0.88 HTR2C (0.42) RAB9ANPC1KMT2APOLBTRPC3
SCHEMBL5032565 0.87 NPC1 (0.45) ALDH1A1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL5035187 0.86 NPC1 (0.41) ALDH1A1RAB9ANPC1HPGDKMT2A
SCHEMBL5034572 0.86 LMNA (0.40) ALDH1A1RAB9ANPC1HPGDKMT2A
SCHEMBL5032649 0.86 ALDH1A1 (0.48) ALDH1A1NPSR1RAB9ANPC1SMN1; SMN2

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 ALDH1A1 473/4885NPSR1 39/4885RAB9A 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.