SCHEMBL2495087

SCHEMBL2495087

NC(=O)C(Br)C(=O)c1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
ALDH1A1 P00352 3/20 0.48
POLB P06746 4/20 0.46
KDM4E B2RXH2 2/20 0.44
HPGD P15428 4/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
RECQL P46063 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 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
SCHEMBL31186641 0.80 CES2 (0.58) CES2CES1ALDH1A1POLBHPGD
SCHEMBL235265 0.80 CES2 (0.58) CES2CES1ALDH1A1POLBHPGD
SCHEMBL1874833 0.79 CES2 (0.56) CES2CES1ALDH1A1POLBKDM4E
SCHEMBL29058644 0.77 POLB (0.46) CES2CES1ALDH1A1POLBHPGD
SCHEMBL5747509 0.77 CES2 (0.54) CES2CES1ALDH1A1POLBHPGD
SCHEMBL30529376 0.77 CES2 (0.54) CES2CES1ALDH1A1POLBHPGD
SCHEMBL14740031 0.75 TSHR (0.47) CES2CES1ALDH1A1HPGDNPC1
SCHEMBL12431221 0.74 CES2 (0.60) CES2CES1ALDH1A1POLBKDM4E
SCHEMBL2489145 0.74 LMNA (0.49) SMN1; SMN2GAALMNA
SCHEMBL263770 0.73 CES2 (0.65) CES2CES1ALDH1A1POLBKDM4E

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 545/4885ALDH1A1 100/4885

“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.