SCHEMBL17749144

SCHEMBL17749144

Nc1ccc(NCc2ccc(C(F)(F)F)cc2)c(F)c1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ2 O43526 7/20 0.60
▸ KCNQ3 O43525 6/20 0.60
▸ KCNQ4 P56696 3/20 0.57
▸ KCNQ5 Q9NR82 3/20 0.57
▸ APP P05067 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.40
▸ ASPH Q12797 1/20 0.40
▸ RIOX2 Q8IUF8 1/20 0.40
▸ KDM8 Q8N371 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ FFAR1 O14842 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.39
▸ NSD2 O96028 1/20 0.39
▸ VNN1 O95497 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ ALDH1A1 P00352 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
SCHEMBL17749207 0.84 KCNQ3 (0.56) KCNQ2KCNQ3KCNQ4KCNQ5APP
SCHEMBL29721496 0.83 APP (0.48) KCNQ2KCNQ3KCNQ4KCNQ5APP
SCHEMBL20129864 0.83 APP (0.48) KCNQ2KCNQ3KCNQ4KCNQ5APP
SCHEMBL20129875 0.81 KCNQ2 (0.50) KCNQ2KCNQ3KCNQ4KCNQ5APP
SCHEMBL17749067 0.81 KCNQ2 (0.75) KCNQ2KCNQ3KCNQ4KCNQ5APP
SCHEMBL20129861 0.81 BACE1 (0.46) KCNQ2KCNQ3KDM4EHDAC3HDAC1
SCHEMBL21496383 0.80 IDO1 (0.44) KCNQ2KCNQ3KCNQ4KCNQ5KDM4E
SCHEMBL24246362 0.80 KCNQ2 (0.75) KCNQ2KCNQ3KCNQ4KCNQ5KDM4E
SCHEMBL29721739 0.80 KCNQ2 (0.58) KCNQ2KCNQ3KCNQ4KCNQ5ALDH1A1
SCHEMBL20134036 0.80 KCNQ2 (0.58) KCNQ2KCNQ3KCNQ4KCNQ5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11358930-B2 Selective potassium channel agonists University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2022-06-14 — — US disclosed
US-11358930-B2 Selective potassium channel agonists University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2022-06-14 — — US disclosed
US-11247966-B2 4-(p-trifluoromethylbenzyl)-3-fluoro-1,2,4-triphenylamine derivative and pharmaceutical composition and applications thereof HEBEI MEDICAL UNIVERSITY (CN) 2022-02-15 — — US disclosed
US-20210238129-A1 SELECTIVE POTASSIUM CHANNEL AGONISTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-08-05 — — US disclosed
US-20210238129-A1 SELECTIVE POTASSIUM CHANNEL AGONISTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-08-05 — — US disclosed
CN-108707087-B 4- (p-trifluoromethyl benzyl) -3-fluoro-1, 2,4 triphenylamine derivative, and pharmaceutical composition and application thereof 河北医科大学 2020-10-16 — — CN disclosed
WO-2019203951-A1 SELECTIVE POTASSIUM CHANNEL AGONISTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2019-10-24 — — WO disclosed
US-20180127357-A1 (2-AMINO-4-(ARYLAMINO)PHENYL) CARBAMATES UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-05-10 — — US disclosed
WO-2016077724-A1 (2-AMINO-4(ARYLAMINO)PHENYL) CARBAMATES UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-05-19 — — 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 (4 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-20210238129-A1 SELECTIVE POTASSIUM CHANNEL AGONISTS KCNH3, KCNH2, KCNJ11 KCNQ2 35/4885KCNQ3 43/4885KCNQ4 48/4885
US-20180127357-A1 (2-AMINO-4-(ARYLAMINO)PHENYL) CARBAMATES HRH4, H1-10, HDAC10 KCNQ2 1257/4885KCNQ3 1235/4885KCNQ4 1297/4885
US-11247966-B2 4-(p-trifluoromethylbenzyl)-3-fluoro-1,2,4-triphenylamine derivative and pharmaceutical composition and applications thereof KCNQ1, KCNQ3, KCNQ4 KCNQ2 4/4885KCNQ3 2/4885KCNQ4 3/4885
US-11358930-B2 Selective potassium channel agonists KCNH3, KCNH2, KCNJ11 KCNQ2 35/4885KCNQ3 43/4885KCNQ4 48/4885

“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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