SCHEMBL3890599

SCHEMBL3890599

NCc1ccc(OCC(F)(F)F)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ POLB P06746 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ CYP1A2 P05177 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.40
▸ SCN9A Q15858 2/20 0.40
▸ LOXL2 Q9Y4K0 2/20 0.40
▸ MAOB P27338 2/20 0.39
▸ CACNA1G O43497 1/20 0.39
▸ CACNA1H O95180 1/20 0.39
▸ CACNA1I Q9P0X4 1/20 0.39
▸ EPHX2 P34913 3/20 0.39
▸ LOX P28300 1/20 0.39
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ CYP2J2 P51589 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ RECQL P46063 1/20 0.36

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
SCHEMBL30939139 1.00 L3MBTL1 (0.53) L3MBTL1POLBMAPK1MAPTCYP1A2
Hydrochloric Acid SCHEMBL5012085 0.98 L3MBTL1 (0.51) L3MBTL1POLBMAPK1MAPTCYP1A2
Hydrochloric Acid SCHEMBL2713855 0.98 L3MBTL1 (0.51) L3MBTL1POLBMAPK1MAPTCYP1A2
SCHEMBL18266635 0.86 L3MBTL1 (0.40) L3MBTL1POLBMAPK1MAPTCYP1A2
SCHEMBL4550753 0.86 L3MBTL1 (0.40) L3MBTL1POLBMAPK1MAPTCYP1A2
SCHEMBL2145798 0.86 L3MBTL1 (0.50) L3MBTL1POLBMAPK1MAPTCYP1A2
SCHEMBL4550334 0.86 L3MBTL1 (0.40) L3MBTL1POLBMAPK1MAPTCYP1A2
Hydrochloric Acid SCHEMBL2714396 0.85 L3MBTL1 (0.39) L3MBTL1POLBMAPK1MAPTSCN9A
Hydrochloric Acid SCHEMBL2714047 0.85 L3MBTL1 (0.39) L3MBTL1POLBMAPK1MAPTCYP1A2
SCHEMBL4550752 0.83 L3MBTL1 (0.38) L3MBTL1POLBMAPK1MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024121048-A1 UREA COMPOUNDS AS ACTIVATORS OF POTASSIUM CHANNELS KV7.2/7.3 USEFUL IN THE TREATMENT OF CNS AND PNS DISORDERS ANGELINI PHARMA S.P.A. (IT) 2024-06-13 — — WO disclosed
EP-2841435-B1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2017-09-06 — — EP disclosed
EP-2630122-B1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2016-11-30 — — EP disclosed
US-9302991-B2 Arylamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2016-04-05 — — US disclosed
US-9187475-B2 Pyrrolopyridinone derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-11-17 — — US disclosed
US-20150094306-A1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2015-04-02 — — US disclosed
EP-2841435-A1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2015-03-04 — — EP disclosed
EP-2810944-A1 HETEROCYCLIC COMPOUND HAVING ANTI-HIV ACTIVITY Toyama Chemical Co., Ltd. (JP) 2014-12-10 — — EP disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 — — US disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 — — US disclosed
WO-2013161312-A1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2013-10-31 — — WO disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 — — WO disclosed
WO-2009145720-A1 ISOINDOLINE DERIVATIVES COMPRISING ADDITIONAL HETEROCYCLIC GROUPS AND THEIR USE IN THE TREATMENT OF PAIN DISORDERS ASTRAZENECA AB (SE) 2009-12-03 — — WO disclosed
WO-2009145718-A1 ISOINDOLINE DERIVATIVES COMPRISING AN ADDITIONAL HETEROCYCLIC GROUP AND THEIR USE IN THE TREATMENT OF PAIN DISORDERS ASTRAZENECA AB (SE) 2009-12-03 — — 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 (2 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-20150094306-A1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS SCN5A, SCN1B, SCN1A L3MBTL1 3283/4885POLB 1977/4885MAPK1 3177/4885
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN2B, SCN1B, SCN2A L3MBTL1 2429/4885POLB 4126/4885MAPK1 3779/4885

“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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