SCHEMBL12466814

SCHEMBL12466814

O=C(NCc1ccco1)C(F)(F)Br

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.58
ALDH1A1 P00352 4/20 0.55
EPHX2 P34913 3/20 0.55
POLB P06746 7/20 0.55
TDP1 Q9NUW8 1/20 0.54
HPGD P15428 3/20 0.54
MAPT P10636 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 2/20 0.54
KDM4E B2RXH2 1/20 0.53
PTPN7 P35236 1/20 0.53
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
RAB9A P51151 2/20 0.52
GAA P10253 1/20 0.52
USP2 O75604 1/20 0.52

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
SCHEMBL7415087 0.88 MLYCD (0.64) MLYCDALDH1A1EPHX2POLBTDP1
SCHEMBL5125127 0.81 GAA (0.61) ALDH1A1EPHX2POLBTDP1HPGD
SCHEMBL18415483 0.78 POLB (0.77) ALDH1A1EPHX2POLBTDP1HPGD
SCHEMBL14694017 0.78 ALDH1A1 (0.66) ALDH1A1EPHX2POLBTDP1HPGD
SCHEMBL24575916 0.78 EPHX2 (0.83) ALDH1A1EPHX2POLBTDP1HPGD
SCHEMBL1455280 0.77 ALDH1A1 (0.64) ALDH1A1EPHX2POLBTDP1HPGD
SCHEMBL1694937 0.77 ALDH1A1 (0.64) ALDH1A1EPHX2POLBTDP1HPGD
SCHEMBL29410065 0.77 ALDH1A1 (0.74) ALDH1A1EPHX2POLBTDP1HPGD
SCHEMBL28733080 0.77 ALDH1A1 (0.55) ALDH1A1EPHX2POLBTDP1HPGD
SCHEMBL19726946 0.76 ALDH1A1 (0.59) ALDH1A1EPHX2POLBTDP1HPGD

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
EP-2668160-B1 TRPM8 RECEPTOR ANTAGONISTS DOMPÉ FARMACEUTICI S P A (IT) 2015-08-12 EP disclosed
US-8906946-B2 TRPM8 receptor antagonists DOMPE' S.P.A. (IT) 2014-12-09 US disclosed
US-20140031398-A1 TRPM8 RECEPTOR ANTAGONISTS DOMPÉ FARMACEUTICI S.P.A. (IT) 2014-01-30 US disclosed
EP-2668160-A1 TRPM8 RECEPTOR ANTAGONISTS Dompe' S.p.A. (IT) 2013-12-04 EP disclosed
WO-2012101244-A1 TRPM8 RECEPTOR ANTAGONISTS DOMPE' S.P.A. (IT) 2012-08-02 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-20140031398-A1 TRPM8 RECEPTOR ANTAGONISTS TRPM8, TRPM6, TRPM7 MLYCD 4504/4885ALDH1A1 4725/4885EPHX2 1740/4885

“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.