SCHEMBL1790031

SCHEMBL1790031

O=C(Cc1cc(F)cc(F)c1)Nn1nc(C(F)(F)F)c2ccccc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 3/20 0.42
▸ AKR1B1 P15121 9/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL30796507 1.00 TRPV1 (0.42) TRPV1AKR1B1KDM4ESIGMAR1LMNA
SCHEMBL30814174 0.89 MEN1 (0.45) AKR1B1KDM4ELMNAMEN1KMT2A
SCHEMBL1789193 0.89 MEN1 (0.45) AKR1B1KDM4ELMNAMEN1KMT2A
SCHEMBL1786577 0.85 LMNA (0.52) AKR1B1KDM4ESIGMAR1LMNAPOLB
SCHEMBL30795856 0.85 LMNA (0.52) AKR1B1KDM4ESIGMAR1LMNAPOLB
SCHEMBL1788705 0.84 RIOK2 (0.47) AKR1B1KDM4ESIGMAR1LMNAMEN1
SCHEMBL30795173 0.84 KDM4E (0.49) TRPV1AKR1B1KDM4ELMNAMEN1
SCHEMBL30796353 0.84 MAPT (0.50) AKR1B1KDM4ELMNAMEN1KMT2A
SCHEMBL1787537 0.84 MAPT (0.50) AKR1B1KDM4ELMNAMEN1KMT2A
SCHEMBL1788526 0.84 KDM4E (0.49) TRPV1AKR1B1KDM4ELMNAMEN1

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 11 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
EP-2504317-A1 POTASSIUM CHANNEL MODULATORS Abbott Laboratories (US) 2012-10-03 — — EP claimed
WO-2011066168-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-06-03 — — WO claimed
US-20110124642-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-05-26 — — US claimed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 — — WO disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 — — WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 — — WO disclosed
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 77/4885AKR1B1 319/4885KDM4E 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.

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