SCHEMBL1786997

SCHEMBL1786997

O=C(Cc1ccc(Cl)c(F)c1)Nn1nc(C(F)(F)F)c2ccccc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 4/20 0.48
▸ P2RX7 Q99572 5/20 0.45
▸ KDM4E B2RXH2 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ PTGER4 P35408 1/20 0.41
▸ ANO1 Q5XXA6 1/20 0.41
▸ POLB P06746 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL30794750 1.00 TRPV1 (0.48) TRPV1P2RX7KDM4ELMNAALDH1A1
SCHEMBL30795173 0.86 KDM4E (0.49) TRPV1KDM4ELMNAALDH1A1MAPT
SCHEMBL1788526 0.86 KDM4E (0.49) TRPV1KDM4ELMNAALDH1A1MAPT
SCHEMBL1789193 0.85 MEN1 (0.45) KDM4ELMNAALDH1A1MAPTPOLB
SCHEMBL30814174 0.85 MEN1 (0.45) KDM4ELMNAALDH1A1MAPTPOLB
SCHEMBL1788705 0.84 RIOK2 (0.47) P2RX7KDM4ELMNAALDH1A1ANO1
SCHEMBL1790031 0.84 TRPV1 (0.42) TRPV1KDM4ELMNAPOLBMEN1
SCHEMBL30796507 0.84 TRPV1 (0.42) TRPV1KDM4ELMNAPOLBMEN1
SCHEMBL1786577 0.83 LMNA (0.52) KDM4ELMNAPTGER4POLB
SCHEMBL30795856 0.83 LMNA (0.52) KDM4ELMNAPTGER4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629143-B2 Potassium channel modulators ABBVIE INC. (US) 2014-01-14 — — US claimed
US-20110124642-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-05-26 — — US claimed
US-8629143-B2 Potassium channel modulators ABBVIE INC. (US) 2014-01-14 — — US disclosed
EP-2504317-A1 POTASSIUM CHANNEL MODULATORS Abbott Laboratories (US) 2012-10-03 — — EP disclosed
WO-2011066168-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-06-03 — — WO disclosed
US-20110124642-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-05-26 — — US 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-20110124642-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNQ3 TRPV1 77/4885P2RX7 197/4885KDM4E 574/4885

“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.

Send feedback