SCHEMBL269348

SCHEMBL269348

CC(C)(C)C(=O)c1ccc2nc(C(C)(C)C)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B14 Q9BPX1 1/20 0.35
ACHE P22303 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
PLK1 P53350 1/20 0.35
CYP2A6 P11509 1/20 0.34
MAP3K5 Q99683 1/20 0.34
GRM5 P41594 1/20 0.34
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33

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
SCHEMBL263653 0.85 TDP1 (0.53) MEN1KMT2ATDP1ALDH1A1NPC1
SCHEMBL269136 0.85 MEN1 (0.35) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL284009 0.81 GRM1 (0.42) MEN1KMT2AKCNH2HRH3ALDH1A1
SCHEMBL264966 0.81 HTT (0.56) MEN1KMT2ATDP1ALDH1A1NPC1
SCHEMBL4149851 0.81 BACE1 (0.50)
SCHEMBL16167680 0.79 NCF1 (0.43) MEN1KMT2ANPC1RAB9AALOX15
SCHEMBL16722810 0.78 CES2 (0.46) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL3638626 0.77 ALDH1A1 (0.48) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL4149949 0.74 ALOX15 (0.63) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL10458011 0.74 CYP2A6 (0.56) TDP1ALDH1A1NPC1RAB9AKDM4E

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-8134004-B2 Substituted N-bicyclicalkyl bicycliccarboxyamide compounds PFIZER INC. (US) 2012-03-13 US disclosed
US-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS PFIZER INC 2009-10-08 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-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS OPRL1, CNR1, TRPV1 MEN1 4051/4885KMT2A 4132/4885KCNH2 226/4885

“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.