SCHEMBL5047599

SCHEMBL5047599

CCC(C)NC(=O)c1cc(-c2csc(-c3ccccc3Cl)n2)n(CC(C)C)c1C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 6/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
EIF4E P06730 2/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
KDM4E B2RXH2 3/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
GNRHR P30968 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
SCHEMBL5043824 0.90 MEN1 (0.43) IDH1MEN1KMT2AMAPTRAB9A
SCHEMBL5048644 0.88 EIF4E (0.47) IDH1KMT2AMAPTRAB9AEIF4E
SCHEMBL5044425 0.88 RAB9A (0.43) IDH1MEN1KMT2AMAPTRAB9A
SCHEMBL5039908 0.87 ALDH1A1 (0.43) IDH1MEN1KMT2AMAPTRAB9A
SCHEMBL5046011 0.86 HTR2A (0.48) IDH1HTR2AHTR2CSLC6A4ALDH1A1
SCHEMBL5043862 0.86 CNR1 (0.43) IDH1MEN1KMT2AMAPTRAB9A
SCHEMBL5039946 0.86 EIF4E (0.42) IDH1RAB9AEIF4ENPC1SMN1; SMN2
SCHEMBL5046918 0.84 ALDH1A1 (0.47) IDH1MEN1KMT2AMAPTRAB9A
SCHEMBL5039891 0.83 ALDH1A1 (0.42) IDH1MEN1KMT2AMAPTEIF4E
SCHEMBL5048580 0.82 CHRM1 (0.44) IDH1MEN1KMT2ARAB9AEIF4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583762-B1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-07-09 EP disclosed
US-7135488-B2 Pyrrolyl-thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-11-14 US disclosed
EP-1583762-A1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP disclosed
US-20040147572-A1 Novel pyrrolyl-thiazole derivatives HOFFMAN-LA ROCHE INC. 2004-07-29 US disclosed
WO-2004060888-A1 NOVEL CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 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-20040147572-A1 Novel pyrrolyl-thiazole derivatives CNR1, CNR2, NPY1R IDH1 3182/4885MEN1 2160/4885KMT2A 4280/4885

“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.