SCHEMBL4712682

SCHEMBL4712682

FC(F)(F)c1ccc(Cc2ccc(Cl)nc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.48
KCNQ3 O43525 1/20 0.48
KCNQ2 O43526 1/20 0.48
KCNE1 P15382 1/20 0.48
KCNQ1 P51787 1/20 0.48
SRD5A2 P31213 1/20 0.42
ALDH1A1 P00352 1/20 0.42
FFAR2 O15552 1/20 0.42
LTA4H P09960 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DYRK1A Q13627 1/20 0.41
DYRK2 Q92630 1/20 0.41
MBOAT4 Q96T53 1/20 0.41

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
SCHEMBL26317133 0.82 CYP11B1 (0.43) GRM4KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL28892361 0.81 OXTR (0.49) GRM4KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL21384231 0.79 LTA4H (0.49) SRD5A2LTA4HCYP11B1CYP11B2MBOAT4
SCHEMBL29364836 0.78 KCNQ3 (0.53) GRM4KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL41029 0.78 KCNQ3 (0.53) GRM4KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL2096666 0.78 SRD5A2 (0.59) SRD5A2ALDH1A1LTA4HKDM4E
SCHEMBL7784836 0.77 L3MBTL1 (0.55) ALDH1A1CYP11B1CYP11B2KDM4EGAA
Methylene Chloride SCHEMBL28144830 0.77 GRM4 (0.49) GRM4KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL11926053 0.77 P2RX3 (0.50) SRD5A2ALDH1A1LTA4HKDM4E
SCHEMBL1744141 0.76 KIF11 (0.52) GRM4KCNQ3KCNQ2KCNE1KCNQ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2832733-B1 4-ALKANOYLAMINO-3-PYRAZOLONE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2018-08-29 EP disclosed
US-9212170-B2 4-alkanoylamino-3-pyrazolone derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-12-15 US disclosed
EP-2832733-A1 4-ALKANOYLAMINO-3-PYRAZOLONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-02-04 EP disclosed
CN-104321318-A 4-alkanoylamino-3-pyrazolone derivative DAIICHI SANKYO CO LTD 2015-01-28 CN disclosed
US-20150011552-A1 4-ALKANOYLAMINO-3-PYRAZOLONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-08 US disclosed
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO 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-20150011552-A1 4-ALKANOYLAMINO-3-PYRAZOLONE DERIVATIVE EPOR, EGLN2, EGLN3 GRM4 4552/4885KCNQ3 889/4885KCNQ2 759/4885

“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.