SCHEMBL965803

SCHEMBL965803

COc1cc([N+](=O)[O-])ccc1-c1cnn(C)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
AAK1 Q2M2I8 1/20 0.47
PKM P14618 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
USP30 Q70CQ3 3/20 0.44
LOXL2 Q9Y4K0 2/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
ALK Q9UM73 1/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL12936327 0.85 CYP19A1 (0.44) HTTAAK1LOXL2ALK
SCHEMBL1875843 0.83 ALK (0.44) HTTAAK1PKMKMT2AMEN1
SCHEMBL1813610 0.82 ALDH1A1 (0.47) TDP1LMNAALKAKR1C3AKR1C2
SCHEMBL29074148 0.81 MAPT (0.43) TDP1KMT2ALMNAMEN1POLB
SCHEMBL20765088 0.81 LOXL2 (0.43) AAK1TDP1USP30LOXL2KMT2A
SCHEMBL2625723 0.81 CCNT1 (0.51) USP30KMT2ALMNAALKAKR1C3
SCHEMBL17785856 0.80 ALDH1A1 (0.47) TDP1LMNAALKALDH1A1
SCHEMBL16914059 0.79 CDK2 (0.44) HTTPKMLOXL2KMT2ALMNA
SCHEMBL16371932 0.79 ALK (0.49) LMNAALKALDH1A1
SCHEMBL26090248 0.78 CCNT1 (0.51) USP30LMNAALKALDH1A1

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 25 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-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-20170044182-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. 2017-02-16 US disclosed
WO-2015109109-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. (US) 2015-07-23 WO disclosed
WO-2015109109-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. (US) 2015-07-23 WO disclosed
US-20150094311-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS CELLZOME LTD (GB) 2015-04-02 US disclosed
US-8962834-B2 Modulators of amyloid beta HOFFMANN-LA ROCHE INC. (US) 2015-02-24 US disclosed
US-20110281881-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2011-11-17 US disclosed
EP-2379553-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2011-10-26 EP disclosed
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 US disclosed
EP-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 EP disclosed
WO-2010089292-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-08-12 WO disclosed
WO-2010083141-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-22 WO disclosed
WO-2010007756-A1 PYRIDINE DERIVATIVE HAVING TTK INHIBITION ACTIVITY 塩野義製薬株式会社 (JP) 2010-01-21 WO disclosed
US-20090215759-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2009-08-27 US disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO disclosed
WO-2008137102-A2 METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR TORREYPINES THERAPEUTICS, INC. (US) 2008-11-13 WO 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 HTT 4/4885AAK1 4071/4885PKM 2352/4885
US-20110281881-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A HTT 688/4885AAK1 1898/4885PKM 4436/4885
US-20150094311-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A HTT 688/4885AAK1 1898/4885PKM 4436/4885
US-20090215759-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, APOB HTT 22/4885AAK1 3298/4885PKM 3586/4885
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production APP, BACE1, APBA1 HTT 105/4885AAK1 837/4885PKM 2235/4885

“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.