SCHEMBL12890286

SCHEMBL12890286

CC(C)NC(=O)Cc1cnc(-c2ccccc2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 1/20 0.49
ALDH1A1 P00352 6/20 0.47
MAPT P10636 5/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
PKM P14618 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CCNE1 P24864 3/20 0.44
CDK2 P24941 3/20 0.44
CDK5 Q00535 3/20 0.44
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 1/20 0.44
PPARA Q07869 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CCNT1 O60563 1/20 0.42
CDK1 P06493 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
SCHEMBL1058834 0.81 CACNA1I (0.57) HDAC1HDAC2ALDH1A1MAPTHPGD
SCHEMBL2468247 0.79 ALDH1A1 (0.53) HDAC1HDAC2ALDH1A1MAPTHPGD
SCHEMBL12788246 0.79 NPC1 (0.57) HDAC1HDAC2ALDH1A1MAPTSMN1; SMN2
SCHEMBL12890736 0.79 CYP11B1 (0.49) HDAC1HDAC2ALDH1A1MAPTHPGD
SCHEMBL1243222 0.74 KCNA5 (0.43) HDAC1HDAC2HPGDSMN1; SMN2HDAC6
SCHEMBL14409016 0.73 CYP11B1 (0.52) HDAC1HDAC2ALDH1A1MAPTHPGD
SCHEMBL1801295 0.73 CACNA1I (0.53) ALDH1A1MAPTHPGDSMN1; SMN2NPC1
SCHEMBL21229053 0.73 HDAC1 (0.51) HDAC1HDAC2ALDH1A1MAPTSMN1; SMN2
SCHEMBL7674546 0.72 POLB (0.67) ALDH1A1MAPTHPGDHDAC6MEN1
SCHEMBL27717095 0.71 CYP11B1 (0.48) HDAC1HDAC2ALDH1A1MAPTSMN1; SMN2

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-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 HDAC1 993/4885HDAC2 514/4885ALDH1A1 2989/4885

“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.