SCHEMBL17048741

SCHEMBL17048741

NCc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
BACE1 P56817 2/20 0.48
BACE2 Q9Y5Z0 1/20 0.48
RXRA P19793 4/20 0.44
RXRB P28702 4/20 0.44
RXRG P48443 4/20 0.44
TAAR1 Q96RJ0 2/20 0.41
MAOB P27338 4/20 0.40
LOXL2 Q9Y4K0 1/20 0.37
TACR1 P25103 3/20 0.37
CACNA1F O60840 1/20 0.37
CACNA1D Q01668 1/20 0.37
CACNA1S Q13698 1/20 0.37
CACNA1C Q13936 1/20 0.37

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
SCHEMBL42797 0.91 IDO1 (0.58) IDO1BACE1BACE2TAAR1MAOB
Hydrochloric Acid SCHEMBL2898331 0.89 IDO1 (0.59) IDO1BACE1BACE2TAAR1MAOB
Methane SCHEMBL4031512 0.86 IDO1 (0.57) IDO1BACE1BACE2TAAR1MAOB
SCHEMBL17048549 0.83 MAOB (0.51) IDO1BACE1BACE2RXRARXRB
SCHEMBL18266423 0.81 IDO1 (0.48) IDO1BACE1BACE2TAAR1MAOB
SCHEMBL29463268 0.78 IDO1 (0.45) IDO1BACE1BACE2RXRARXRB
SCHEMBL12296155 0.78 IDO1 (0.45) IDO1BACE1BACE2TAAR1MAOB
SCHEMBL43211 0.78 IDO1 (0.45) IDO1BACE1BACE2RXRARXRB
SCHEMBL10200704 0.78 IDO1 (0.45) IDO1BACE1BACE2TAAR1MAOB
SCHEMBL9482063 0.78 RXRA (0.54) IDO1RXRARXRBRXRG

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
US-11236078-B2 Heterocyclic inhibitors of the sodium channel DeGiacomo, Mark G. (US) 2022-02-01 US disclosed
US-11236078-B2 Heterocyclic inhibitors of the sodium channel DeGiacomo, Mark G. (US) 2022-02-01 US disclosed
US-20170145003-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL DeGiacomo, Mark G. (US) 2017-05-25 US disclosed
US-20170145003-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL DeGiacomo, Mark G. (US) 2017-05-25 US disclosed
US-20170145003-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL DeGiacomo, Mark G. (US) 2017-05-25 US disclosed
WO-2015130957-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL Zalicus Pharmaceuticals, Ltd. (US) 2015-09-03 WO disclosed
WO-2015130957-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL Zalicus Pharmaceuticals, Ltd. (US) 2015-09-03 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-20170145003-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL SCN1B, SCN1A, CACNA1S IDO1 1243/4885BACE1 701/4885BACE2 1785/4885
US-11236078-B2 Heterocyclic inhibitors of the sodium channel SCN1B, TRPM6, SCN1A IDO1 1208/4885BACE1 814/4885BACE2 1828/4885

“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.