SCHEMBL1242404

SCHEMBL1242404

N#Cc1cccc(NC(=O)NC(c2cccc(Br)c2)C(c2cccnc2)c2cccnc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
ATR Q13535 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
BLM P54132 1/20 0.42
BRAF P15056 1/20 0.41
VNN1 O95497 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GRM4 Q14833 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL1242315 0.91 NAMPT (0.43) MEN1KMT2AMAPTALDH1A1MAOA
SCHEMBL1243680 0.87 NAMPT (0.47) MEN1KMT2ANPC1RAB9AHSD17B10
SCHEMBL1243154 0.81 MEN1 (0.48) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL1243688 0.79 KCNA5 (0.45) MEN1KMT2AALDH1A1GRM5KCNA5
SCHEMBL1242307 0.77 KCNA5 (0.48) ATRVNN1GRM5NAMPTKCNA5
SCHEMBL17079612 0.76 MEN1 (0.67) MEN1KMT2AMAPTALDH1A1ATR
SCHEMBL1243684 0.75 NAMPT (0.48) ALDH1A1VNN1SMN1; SMN2NAMPTKCNA5
SCHEMBL1243521 0.74 L3MBTL1 (0.44) ALDH1A1SMN1; SMN2GRM5NAMPTKCNA5
SCHEMBL1242890 0.73 NAMPT (0.45) MEN1KMT2AMAPTSMN1; SMN2NAMPT
SCHEMBL1242372 0.73 ALDH1A1 (0.50) MEN1KMT2AALDH1A1NPC1RAB9A

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
EP-1781635-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2012-06-13 EP disclosed
US-7879839-B2 For treatment and prevention of cardiac arrhythmias; (+-)-2-Morpholin-4-yl-2-phenyl-1,1-dipyridin-3-yl-ethanol; (+-)-2-[(2-methoxyethyl)(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 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-20080090794-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 MEN1 2152/4885KMT2A 278/4885MAPT 2696/4885

“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.