SCHEMBL367990

SCHEMBL367990

Cc1ncnn1-c1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
THRB P10828 1/20 0.47
ALDH1A1 P00352 6/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.46
S1PR4 O95977 1/20 0.41
HIF1A Q16665 1/20 0.41
POLB P06746 2/20 0.40
NPC1 O15118 1/20 0.40
MEN1 O00255 2/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC22A12 Q96S37 1/20 0.38
CASP1 P29466 1/20 0.38
CASP3 P42574 1/20 0.38
CASP4 P49662 1/20 0.38
CASP7 P55210 1/20 0.38
CASP9 P55211 1/20 0.38

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
SCHEMBL20265527 0.83 HSD17B10 (0.46) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL961576 0.81 TSHR (0.38) MAPTTHRBALDH1A1KMT2ALMNA
SCHEMBL10153123 0.81 ALDH1A1 (0.49) MAPTALDH1A1KMT2ALMNAPOLB
SCHEMBL511979 0.81 HTT (0.49) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL2625711 0.80 POLB (0.43) MAPTALDH1A1KMT2ALMNAPOLB
SCHEMBL12693213 0.77 NPC1 (0.46) MAPTLMNANPC1MAPK1
SCHEMBL3757819 0.76 MAPT (0.54) MAPTALDH1A1KMT2ALMNAPOLB
SCHEMBL16017444 0.76 MAPT (0.62) MAPTTHRBALDH1A1KMT2ALMNA
SCHEMBL3836024 0.75 ALDH1A1 (0.56) MAPTTHRBALDH1A1KMT2ALMNA
SCHEMBL512812 0.75 ALDH1A1 (0.39) MAPTTHRBALDH1A1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593461-B1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2016-08-17 EP 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-20150152089-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2015-06-04 US disclosed
US-20150152089-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2015-06-04 US disclosed
US-20150152089-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2015-06-04 US disclosed
US-8962834-B2 Modulators of amyloid beta HOFFMANN-LA ROCHE INC. (US) 2015-02-24 US disclosed
US-20110212937-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2011-09-01 US disclosed
US-20110212937-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2011-09-01 US disclosed
US-20110212937-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2011-09-01 US 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
EP-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 EP disclosed
WO-2010094647-A1 NOVEL SUBSTITUTED BENZOXAZOLE, BENZIMIDAZOLE, OXAZOLOPYRIDINE AND IMIDAZOPYRIDINE DERIVATIVES AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-08-26 WO 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
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 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-20110212937-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP MAPT 15/4885THRB 1954/4885ALDH1A1 1956/4885
US-20150152089-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP MAPT 15/4885THRB 1954/4885ALDH1A1 1956/4885
US-20090215759-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, APOB MAPT 23/4885THRB 2239/4885ALDH1A1 2956/4885
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production APP, BACE1, APBA1 MAPT 15/4885THRB 2987/4885ALDH1A1 1819/4885
US-20150336975-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP MAPT 15/4885THRB 1954/4885ALDH1A1 1956/4885

“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.