SCHEMBL5032616

SCHEMBL5032616

CCCN(C)C(=O)c1csc(N(C(=O)c2ccccc2Cl)c2ccc(Cl)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.38
TP53 P04637 2/20 0.38
DHODH Q02127 2/20 0.38
POLB P06746 2/20 0.38
GPBAR1 Q8TDU6 2/20 0.37
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CYP3A4 P08684 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
S1PR1 P21453 1/20 0.35

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
SCHEMBL5035132 0.92 KDM4E (0.45) KDM4ENPC1ALDH1A1HTTNPSR1
SCHEMBL5034815 0.92 KDM4E (0.43) KDM4ENPC1ALDH1A1HTTNPSR1
SCHEMBL5034751 0.90 CYP3A4 (0.47) KDM4ENPC1ALDH1A1HTTNPSR1
SCHEMBL5032531 0.90 KDM4E (0.41) KDM4EALDH1A1HTTNPSR1RAB9A
SCHEMBL5032555 0.87 ALDH1A1 (0.44) KDM4ENPC1ALDH1A1HTTNPSR1
SCHEMBL5038953 0.84 CYP3A4 (0.46) NPC1HTTRAB9ASMN1; SMN2CYP3A4
SCHEMBL5035874 0.84 KDM4E (0.40) KDM4EALDH1A1HTTNPSR1RAB9A
Propylamine SCHEMBL6488547 0.84 KDM4E (0.46) KDM4EALDH1A1HTTNPSR1RAB9A
SCHEMBL5038951 0.84 KDM4E (0.43) KDM4ENPC1ALDH1A1HTTNPSR1
SCHEMBL5035888 0.83 CYP3A4 (0.45) NPC1HTTSMN1; SMN2CYP3A4MEN1

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 KDM4E 3200/4885NPC1 313/4885ALDH1A1 473/4885

“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.