SCHEMBL3267833

SCHEMBL3267833

Cc1ccc2ccc(Cl)cc2c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
CYP2A6 P11509 3/20 0.41
POLB P06746 2/20 0.40
TYMS P04818 1/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CHEK1 O14757 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
IDO1 P14902 1/20 0.36
NPFFR1 Q9GZQ6 1/20 0.36
NPFFR2 Q9Y5X5 1/20 0.36
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.35
CYP1A2 P05177 2/20 0.34
TSHR P16473 1/20 0.34
GAA P10253 2/20 0.34

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
SCHEMBL3267082 0.78 CYP1A2 (0.54) CYP2A6LMNAALDH1A1TP53CYP1A2
SCHEMBL30640484 0.78 CYP1A2 (0.54) CYP2A6LMNAALDH1A1TP53CYP1A2
SCHEMBL6041439 0.78 TYMS (0.41) CYP2A6TYMSLMNAALDH1A1MEN1
SCHEMBL3268719 0.75 TYMS (0.39) CYP2A6TYMSALDH1A1MEN1KMT2A
SCHEMBL25209301 0.75 POLB (0.55) CYP3A4CYP2A6POLBLMNAALDH1A1
SCHEMBL25302662 0.75 TSHR (0.48) CYP3A4CYP2A6TYMSLMNAALDH1A1
SCHEMBL29967989 0.74 CYP2A6 (0.52) CYP3A4CYP2A6TYMSLMNAALDH1A1
SCHEMBL5411000 0.74 CYP2A6 (0.52) CYP3A4CYP2A6TYMSLMNAALDH1A1
SCHEMBL3275928 0.72 CYP2A6 (0.63) CYP3A4CYP2A6POLBTYMSLMNA
SCHEMBL103139 0.71 CYP2A6 (0.60) CYP3A4CYP2A6POLBALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1914229-B1 NOVEL CERCOSPORAMIDE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-06-16 EP disclosed
US-20090036492-A1 Novel Cercosporamide Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-02-05 US disclosed
CN-101300244-A Novel cercosporamide derivative DAIICHI SANKYO CO LTD (JP) 2008-11-05 CN disclosed
EP-1914229-A1 NOVEL CERCOSPORAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2008-04-23 EP 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-20090036492-A1 Novel Cercosporamide Derivative GPR119, CBR3, SLC5A2 CYP3A4 1027/4885CYP2A6 572/4885POLB 4801/4885

“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.