SCHEMBL12138397

SCHEMBL12138397

Cn1cc(-c2ccc([N+](=O)[O-])cc2CO)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.43
ERN1 O75460 1/20 0.42
CCNT1 O60563 1/20 0.41
CCNE2 O96020 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CDK9 P50750 1/20 0.41
MAPT P10636 3/20 0.41
TLR2 O60603 1/20 0.40
TLR1 Q15399 1/20 0.40
BAZ2B Q9UIF8 1/20 0.40
BAZ2A Q9UIF9 1/20 0.40
BRD4 O60885 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PDK2 Q15119 1/20 0.39
GRM2 Q14416 1/20 0.39
LMNA P02545 1/20 0.39
F2R P25116 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL8168447 0.85 ALK (0.43) ALKERN1CCNT1CCNE2CCNE1
SCHEMBL1813610 0.81 ALDH1A1 (0.47) ALKERN1CCNT1CCNE2CCNE1
SCHEMBL29074148 0.80 MAPT (0.43) ALKERN1CCNT1CCNE2CCNE1
SCHEMBL2625723 0.80 CCNT1 (0.51) ALKERN1CCNT1CCNE2CCNE1
SCHEMBL28626894 0.79 PTGS2 (0.48) MAPTMEN1KMT2APTGS2POLB
SCHEMBL17785856 0.79 ALDH1A1 (0.47) ALKERN1CCNT1CCNE2CCNE1
SCHEMBL19551760 0.79 CA12 (0.44) ALKCCNT1CCNE2CCNE1CDK2
SCHEMBL965803 0.78 HTT (0.49) ALKMEN1KMT2ALMNAPOLB
SCHEMBL26090248 0.77 CCNT1 (0.51) ALKERN1CCNT1CCNE2CCNE1
SCHEMBL12138442 0.77 TLR2 (0.42) MAPTTLR2TLR1MEN1KMT2A

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-20150094311-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS CELLZOME LTD (GB) 2015-04-02 US disclosed
US-8946426-B2 Substituted bicyclic heterocyclic compounds as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
US-20110281881-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2011-11-17 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 (2 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-20110281881-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A ALK 4533/4885ERN1 1880/4885CCNT1 378/4885
US-20150094311-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A ALK 4533/4885ERN1 1880/4885CCNT1 378/4885

“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.