SCHEMBL2491977

SCHEMBL2491977

NC(=O)C(Br)C(=O)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.46
CES1 P23141 3/20 0.46
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
LMNA P02545 3/20 0.44
GSK3B P49841 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SRD5A2 P31213 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL24209680 0.90 PARP10 (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL20995299 0.87 CES2 (0.54) CES2CES1ALOX15TSHRLMNA
SCHEMBL20995296 0.80 CES2 (0.61) CES2CES1ALOX15TSHRLMNA
SCHEMBL908908 0.80 CES2 (0.46) CES2CES1ALOX15TSHRGSK3B
SCHEMBL12228069 0.79 TDP1 (0.50) CES2CES1TSHRLMNAGSK3B
SCHEMBL3424507 0.79 GSK3B (0.61) CES2CES1ALOX15TSHRLMNA
SCHEMBL20995293 0.78 CES2 (0.62) CES2CES1ALOX15TSHRLMNA
SCHEMBL1481505 0.77 CES2 (0.52) CES2CES1ALOX15TSHRLMNA
SCHEMBL15751600 0.76 L3MBTL1 (0.47) CES2CES1ALOX15TSHRLMNA
SCHEMBL634548 0.75 CES2 (0.50) CES2CES1ALOX15TSHRLMNA

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
CN-102256972-A Thiazolyl-benzimidazoles HOFFMANN LA ROCHE 2011-11-23 CN disclosed
EP-2379543-A2 THIAZOLYL-BENZIMIDAZOLES F. Hoffmann-La Roche AG (CH) 2011-10-26 EP disclosed
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US disclosed
WO-2010121675-A2 THIAZOLYL-BENZIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 US 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-20100160308-A1 Thiazolyl-Benzimidazoles CYP3A7, CYP2C19, CYP3A5 CES2 1038/4885CES1 545/4885ALOX15 3836/4885

“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.