SCHEMBL513295

SCHEMBL513295

COc1cc([N+](=O)[O-])ccc1-n1cnc(C)n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.50
HTT P42858 3/20 0.49
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 5/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 2/20 0.43
MEN1 O00255 3/20 0.42
PKM P14618 1/20 0.42
SNCA P37840 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL3428571 0.93 HTT (0.49) LMNAHTTTDP1KMT2AMAPT
SCHEMBL512387 0.86 LMNA (0.49) LMNAHTTTDP1KMT2AMAPT
SCHEMBL17142137 0.85 LMNA (0.39) LMNAHTTTDP1KMT2AMAPT
SCHEMBL10279789 0.84 CYP19A1 (0.53) LMNAKMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL370158 0.84 MAPT (0.42) LMNAHTTTDP1KMT2AMAPT
SCHEMBL361843 0.83 MAPT (0.41) LMNAHTTKMT2AMAPTSMN1; SMN2
SCHEMBL361807 0.83 IDO1 (0.38) LMNAHTTKMT2AMAPTSMN1; SMN2
SCHEMBL20085601 0.83 LMNA (0.40) LMNAHTTKMT2AMAPTSMN1; SMN2
SCHEMBL362113 0.82 MAPT (0.41) LMNAHTTKMT2AMAPTSMN1; SMN2
SCHEMBL360627 0.81 RAB9A (0.41) LMNAHTTTDP1KMT2AMAPT

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771378-B2 Fused morpholinopyrimidines and methods of use thereof DENALI THERAPEUTICS, INC. (US) 2017-09-26 US disclosed
US-9771378-B2 Fused morpholinopyrimidines and methods of use thereof DENALI THERAPEUTICS, INC. (US) 2017-09-26 US disclosed
US-20170044182-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. 2017-02-16 US disclosed
US-20170044182-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. 2017-02-16 US disclosed
US-20150336975-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-26 US disclosed
US-20150336975-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-26 US disclosed
US-20150336975-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-26 US disclosed
EP-2459197-B1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2015-10-14 EP disclosed
EP-2459197-B1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2015-10-14 EP disclosed
US-9145399-B2 Substituted bicyclic triazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-09-29 US disclosed
WO-2011086099-A1 NOVEL SUBSTITUTED TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2011-07-21 WO disclosed
WO-2011014535-A1 COMPOUNDS FOR THE REDUCTION OF β-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-03 WO disclosed
WO-2011014535-A1 COMPOUNDS FOR THE REDUCTION OF β-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-03 WO disclosed
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 US disclosed
WO-2010132015-A1 NEW COMPOUNDS MODULATING GAMMA-SECRETASE AND THEIR USE IN THE TREATMENT OF ALPHA BETA RELATED PATHOLOGIES, SUCH AS ALZHEIMER'S DISEASE ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
WO-2010132015-A1 NEW COMPOUNDS MODULATING GAMMA-SECRETASE AND THEIR USE IN THE TREATMENT OF ALPHA BETA RELATED PATHOLOGIES, SUCH AS ALZHEIMER'S DISEASE ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
US-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies ASTRAZENECA AB (SE) 2010-11-18 US disclosed
US-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies ASTRAZENECA AB (SE) 2010-11-18 US disclosed
WO-2010083141-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-22 WO disclosed
US-20090215759-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2009-08-27 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 (5 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-20170044182-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF SMN1; SMN2, FUS, SYNCRIP LMNA 2408/4885HTT 4/4885TDP1 29/4885
US-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies BACE1, APP, BACE2 LMNA 446/4885HTT 231/4885TDP1 1353/4885
US-20090215759-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, APOB LMNA 643/4885HTT 22/4885TDP1 263/4885
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production APP, BACE1, APBA1 LMNA 1290/4885HTT 105/4885TDP1 1618/4885
US-20150336975-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP LMNA 2174/4885HTT 136/4885TDP1 2090/4885

“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.