SCHEMBL3958650

SCHEMBL3958650

N#C/C=[C]/Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 6/20 0.44
ALDH1A1 P00352 6/20 0.44
GAA P10253 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
IDH2 P48735 2/20 0.43
HTT P42858 2/20 0.43
RAPGEF4 Q8WZA2 1/20 0.42
IDO1 P14902 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KIF11 P52732 1/20 0.42
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
TEAD1 P28347 1/20 0.41
TEAD4 Q15561 1/20 0.41

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
SCHEMBL3958652 1.00 MEN1 (0.46) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL7166763 0.81 MAPT (0.50) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL3958655 0.75 MEN1 (0.57) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL227215 0.74 MAPT (0.53) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL5208376 0.74 MAPT (0.54) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL3954581 0.74 KIF11 (0.52) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL3954584 0.74 KIF11 (0.52) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL3959948 0.71 GRM5 (0.41) MEN1KMT2A
SCHEMBL3959950 0.71 GRM5 (0.41) MEN1KMT2A
SCHEMBL2884963 0.71 L3MBTL1 (0.52) MEN1KMT2AMAPTALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560473-B2 Amine derivative with potassium channel regulatory function, its preparation and use INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES, P.L.A. (CN) 2009-07-14 US disclosed
US-20040266822-A1 Amine derivative with potassium channel regulatory function, its preparation and use INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. (CN) 2004-12-30 US disclosed
EP-1386908-A1 AMINE DERIVATIVE WITH POTASSIUM CHANNEL REGULATORY FUNCTION, ITS PREPARATION AND USE Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. (CN) 2004-02-04 EP 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-20040266822-A1 Amine derivative with potassium channel regulatory function, its preparation and use KCNMA1, KCNA5, KCNA1 MEN1 2054/4885KMT2A 1749/4885MAPT 2941/4885

“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.