SCHEMBL3954584

SCHEMBL3954584

O=[N+]([O-])C=[C]Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.52
FBP1 P09467 1/20 0.49
MAPT P10636 6/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
LMNA P02545 3/20 0.44
MPO P05164 1/20 0.43
HTT P42858 2/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 4/20 0.43
TRPV1 Q8NER1 1/20 0.42
PKM P14618 2/20 0.42
FFAR1 O14842 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CDK7 P50613 1/20 0.42
CCNH P51946 1/20 0.42
CCNA1 P78396 1/20 0.42

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
SCHEMBL3954581 1.00 KIF11 (0.52) KIF11FBP1MAPTMEN1KMT2A
SCHEMBL3956355 0.77 KMT2A (0.53) FBP1MAPTMEN1KMT2ALMNA
SCHEMBL3956358 0.77 KMT2A (0.53) FBP1MAPTMEN1KMT2ALMNA
SCHEMBL3957246 0.75 FBP1 (0.50) FBP1MAPTMEN1KMT2ALMNA
SCHEMBL3957248 0.75 FBP1 (0.50) FBP1MAPTMEN1KMT2ALMNA
SCHEMBL3954585 0.75 FBP1 (0.57) KIF11FBP1MAPTMEN1KMT2A
SCHEMBL28208229 0.74 KIF11 (0.60) KIF11FBP1MAPTMEN1KMT2A
SCHEMBL227215 0.74 MAPT (0.53) KIF11MAPTMEN1KMT2AHTT
SCHEMBL3958650 0.74 MEN1 (0.46) KIF11MAPTMEN1KMT2ALMNA
SCHEMBL3958652 0.74 MEN1 (0.46) KIF11MAPTMEN1KMT2ALMNA

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 KIF11 676/4885FBP1 2146/4885MAPT 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.