SCHEMBL5043824

SCHEMBL5043824

CCCCn1c(-c2csc(-c3ccccc3Cl)n2)cc(C(=O)NC(C)CC)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
IDH1 O75874 3/20 0.42
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
CNR2 P34972 1/20 0.39
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
RAB9A P51151 2/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 1/20 0.37
EIF4E P06730 2/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
DHODH Q02127 2/20 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
SCHEMBL5047599 0.90 IDH1 (0.44) MEN1KMT2AIDH1KDM4EMAPT
SCHEMBL5048649 0.89 IDH1 (0.49) MEN1KMT2AIDH1CNR2KDM4E
SCHEMBL6883123 0.88 EIF4E (0.46) KMT2AIDH1LMNAKDM4EMAPT
SCHEMBL5044987 0.87 HTR2A (0.47) IDH1LMNAHTR2AHTR2CSLC6A4
SCHEMBL5044425 0.86 RAB9A (0.43) MEN1KMT2AIDH1LMNAKDM4E
SCHEMBL5039908 0.85 ALDH1A1 (0.43) MEN1KMT2AIDH1LMNAPOLB
SCHEMBL5039891 0.85 ALDH1A1 (0.42) MEN1KMT2AIDH1LMNAPOLB
SCHEMBL5043862 0.85 CNR1 (0.43) MEN1KMT2AIDH1KDM4EMAPT
SCHEMBL5039946 0.85 EIF4E (0.42) IDH1RAB9AEIF4ENPC1SMN1; SMN2
SCHEMBL5046918 0.83 ALDH1A1 (0.47) MEN1KMT2AIDH1LMNAPOLB

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 MEN1 2160/4885KMT2A 4280/4885IDH1 3182/4885

“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.