SCHEMBL3268788

SCHEMBL3268788

Cc1cc(Br)c2ccccc2c1C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 1/20 0.42
ALDH1A1 P00352 6/20 0.38
ERN1 O75460 2/20 0.38
TSHR P16473 1/20 0.38
CYP1A2 P05177 5/20 0.37
MAPT P10636 3/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 2/20 0.37
TNKS2 Q9H2K2 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PRNP P04156 1/20 0.36
HPGD P15428 1/20 0.36
CYP2A6 P11509 1/20 0.35
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NQO2 P16083 1/20 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
SCHEMBL9838932 0.86 PADI4 (0.44) PADI4ALDH1A1ERN1TSHRCYP1A2
SCHEMBL3168552 0.84 PADI4 (0.48) PADI4ALDH1A1ERN1TSHRCYP1A2
SCHEMBL10384781 0.78 ALDH1A1 (0.48) PADI4ALDH1A1ERN1TSHRCYP1A2
SCHEMBL3946067 0.77 PADI4 (0.42) PADI4ALDH1A1ERN1CYP1A2MAPT
SCHEMBL3268264 0.77 HTT (0.57) PADI4ERN1MAPTHTTMEN1
SCHEMBL3269246 0.77 ALDH1A1 (0.43) PADI4ALDH1A1ERN1TSHRCYP1A2
SCHEMBL3267563 0.77 PADI4 (0.42) PADI4ALDH1A1ERN1TSHRCYP1A2
SCHEMBL12521593 0.76 PADI4 (0.41) PADI4ALDH1A1ERN1TSHRCYP1A2
SCHEMBL11302952 0.75 PADI4 (0.48) PADI4ALDH1A1ERN1TSHRCYP1A2
SCHEMBL22046778 0.74 CYP1A2 (0.46) PADI4ALDH1A1ERN1TSHRCYP1A2

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 3 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
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 PADI4 3251/4885ALDH1A1 381/4885ERN1 337/4885

“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.