SCHEMBL3900724

SCHEMBL3900724

FC(F)(F)c1cc(CBr)nn1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.43
ALDH1A1 P00352 4/20 0.41
CSF1R P07333 1/20 0.37
LMNA P02545 3/20 0.37
CYP1A2 P05177 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
BRAF P15056 1/20 0.36
EPHX2 P34913 1/20 0.36
PTGS2 P35354 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL1981062 0.84 CA1 (0.43) PTGS1ALDH1A1LMNACYP1A2SMN1; SMN2
SCHEMBL3282108 0.84 PTGS1 (0.43) PTGS1ALDH1A1CSF1RLMNACYP1A2
SCHEMBL7570850 0.76 PTGS1 (0.65) PTGS1ALDH1A1CYP1A2MEN1KMT2A
SCHEMBL2832928 0.75 MAPK1 (0.47) CYP1A2SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL3281219 0.75 MAPK1 (0.56) PTGS1ALDH1A1CYP1A2SMN1; SMN2MEN1
SCHEMBL27720508 0.75 PTGS1 (0.46) PTGS1ALDH1A1CSF1RLMNACYP1A2
SCHEMBL1012539 0.75 PTGS1 (0.46) PTGS1ALDH1A1LMNACYP1A2SMN1; SMN2
SCHEMBL3975817 0.74 ALDH1A1 (0.72) ALDH1A1CSF1RLMNACYP1A2SMN1; SMN2
SCHEMBL27944811 0.73 PTGS1 (0.45) PTGS1ALDH1A1CSF1RLMNACYP1A2
SCHEMBL9349328 0.73 CNR1 (0.61) PTGS1ALDH1A1LMNACNR1CNR2

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
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 PTGS1 1108/4885ALDH1A1 1730/4885CSF1R 143/4885

“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.