SCHEMBL4452430

SCHEMBL4452430

N#Cc1c(O)c(C#N)c(C#N)c(C#N)c1C#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
CACNA1B Q00975 1/20 0.52
APBA1 Q02410 1/20 0.52
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TTR P02766 2/20 0.33
ALB P02768 2/20 0.33
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA6 P23280 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL9244159 0.96 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL57168 0.78 ALDH1A1 (0.47) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL9576714 0.77 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL1573448 0.76 MEN1 (0.50) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL5162118 0.76 ALDH1A1 (0.46) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL29842862 0.76 MEN1 (0.50) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL10379756 0.76 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL1573573 0.74 MEN1 (0.48) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL28474495 0.74 KDM4E (0.39) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL10876678 0.72 MEN1 (0.42) MEN1KMT2AALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592486-B2 Anhydrous fluoride salts and reagents and methods for their production BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2009-09-22 US disclosed
US-20060089514-A1 Anhydrous flouride salts and reagents and methods for their production NUTECH VENTURES 2006-04-27 US 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-20060089514-A1 Anhydrous flouride salts and reagents and methods for their production AFF2, AFF1, AFF4 MEN1 213/4885KMT2A 1926/4885ALDH1A1 3896/4885

“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.