SCHEMBL3155181

SCHEMBL3155181

NCCOc1cc([N+](=O)[O-])cc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MAPT P10636 5/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.38
TXNRD1 Q16881 1/20 0.38
TXNRD3 Q86VQ6 1/20 0.38
TXNRD2 Q9NNW7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
GPR84 Q9NQS5 1/20 0.36

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
SCHEMBL6224456 0.86 GAA (0.43) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1264295 0.85 ALDH1A1 (0.41) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL14279323 0.85 MAPT (0.38) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1603675 0.85 LMNA (0.49) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13400004 0.84 ALDH1A1 (0.42) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4829990 0.84 MAPT (0.38) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1013174 0.84 LMNA (0.42) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL806101 0.82 CHRNB2 (0.59) ALDH1A1MAPTCYP3A4TSHRTDP1
SCHEMBL12398631 0.81 CHRNB2 (0.51) ALDH1A1MAPTSMN1; SMN2CYP3A4TSHR
SCHEMBL15720154 0.81 ALDH1A1 (0.42) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537084-B1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC (US) 2013-08-21 EP disclosed
US-8247430-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2012-08-21 US disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-06-04 US disclosed
US-7507748-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-03-24 US disclosed
EP-1562933-B1 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS AMGEN INC (US) 2008-03-19 EP disclosed
US-7101868-B2 Substituted arylamine derivatives and methods of use AMGEN INC. (US) 2006-09-05 US disclosed
US-7102009-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2006-09-05 US disclosed
US-20060040966-A1 e.g. 2-(7-isoquinolinylamino)-N-(3-methyl-4-(1-methylethyl)phenyl)-3-pyridinecarboxamide; Vascular Endothelial Growth Factor antagonist; angiogenesis inhibitor; anticarcinogenic, antiinflammatory inhibitor; retinopathies, rheumatoid arthritis, asthma, atherosclerosis, endometriosis, neoplastic diseases AMGEN INC. 2006-02-23 US disclosed
US-20050261313-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2005-11-24 US disclosed
EP-1562933-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS Amgen Inc. (US) 2005-08-17 EP disclosed
US-20050153960-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2005-07-14 US disclosed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 US disclosed
US-20040204437-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2004-10-14 US disclosed
WO-2004007481-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATES DISORDERS AMGEN INC. (US) 2004-01-22 WO disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US disclosed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 US disclosed
US-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 US disclosed
EP-0687253-B1 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME BOEHRINGER MANNHEIM GMBH (DE) 1998-12-16 EP 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 (8 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-20050153960-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR ALDH1A1 178/4885MAPT 4084/4885NPC1 614/4885
US-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC ALDH1A1 389/4885MAPT 4232/4885NPC1 591/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR ALDH1A1 178/4885MAPT 4084/4885NPC1 614/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR ALDH1A1 178/4885MAPT 4084/4885NPC1 614/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 ALDH1A1 192/4885MAPT 2262/4885NPC1 782/4885
US-20060040966-A1 e.g. 2-(7-isoquinolinylamino)-N-(3-methyl-4-(1-methylethyl)phenyl)-3-pyridinecarboxamide; Vascular Endothelial Growth Factor antagonist; angiogenesis inhibitor; anticarcinogenic, antiinflammatory inhibitor; retinopathies, rheumatoid arthritis, asthma, atherosclerosis, endometriosis, neoplastic diseases EDNRA, PTGIS, EDNRB ALDH1A1 223/4885MAPT 4549/4885NPC1 2638/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC ALDH1A1 389/4885MAPT 4232/4885NPC1 591/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 ALDH1A1 104/4885MAPT 3731/4885NPC1 842/4885

“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.