SCHEMBL447975

SCHEMBL447975

CC(C)(C)c1ccc([N+](=O)[O-])cc1-c1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.46
CYP11B1 P15538 3/20 0.46
CYP11B2 P19099 3/20 0.46
NPC1 O15118 4/20 0.45
PKN1 Q16512 1/20 0.45
PKN2 Q16513 1/20 0.45
PDE4B Q07343 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE7A Q13946 1/20 0.43
PDE7B Q9NP56 1/20 0.43
GCGR P47871 1/20 0.43
MAPK14 Q16539 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MEN1 O00255 1/20 0.42
GALR3 O60755 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 4/20 0.41
RAB9A P51151 3/20 0.41

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
SCHEMBL7016197 0.91 PABPC1 (0.43) CYP19A1CYP11B1CYP11B2NPC1PKN1
SCHEMBL445669 0.81 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1MEN1GALR3HTT
SCHEMBL429611 0.80 ALDH1A1 (0.55) CYP19A1CYP11B1CYP11B2NPC1PKN1
SCHEMBL2650165 0.76 MAPK14 (0.52) CYP19A1CYP11B1CYP11B2NPC1PKN1
SCHEMBL7034422 0.76 TDP1 (0.54) CYP19A1CYP11B1CYP11B2NPC1PDE4B
SCHEMBL30586132 0.75 CA2 (0.46) CYP19A1CYP11B1CYP11B2NPC1PKN1
SCHEMBL11654599 0.75 SMN1; SMN2 (0.60) PDE4BPDE4DPDE7APDE7BSMN1; SMN2
SCHEMBL14809788 0.73 CYP19A1 (0.52) CYP19A1CYP11B1CYP11B2NPC1PKN1
SCHEMBL31037362 0.73 CYP19A1 (0.52) CYP19A1CYP11B1CYP11B2NPC1PKN1
SCHEMBL31463570 0.73 CYP19A1 (0.52) CYP19A1CYP11B1CYP11B2NPC1PKN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2013-10-17 US disclosed
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-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 US disclosed
US-8058445-B2 Substituted pyridinecarboxamides for the treatment of cancer AMGEN INC. (US) 2011-11-15 US disclosed
EP-2311829-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2011-04-20 EP 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-7514564-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2009-04-07 US disclosed
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 EP disclosed
EP-1358161-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Amgen Inc. (US) 2003-11-05 EP disclosed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 US disclosed
US-20030195230-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-16 US disclosed
US-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 US disclosed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 US disclosed
US-20020147198-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2002-10-10 US disclosed
WO-2002068406-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS AMGEN INC. (US) 2002-09-06 WO disclosed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 WO disclosed
WO-2002055501-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMGEN INC (US) 2002-07-18 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 (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-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO CYP19A1 128/4885CYP11B1 24/4885CYP11B2 27/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO CYP19A1 139/4885CYP11B1 37/4885CYP11B2 38/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR CYP19A1 45/4885CYP11B1 69/4885CYP11B2 64/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 CYP19A1 66/4885CYP11B1 61/4885CYP11B2 60/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR CYP19A1 45/4885CYP11B1 69/4885CYP11B2 64/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 CYP19A1 66/4885CYP11B1 61/4885CYP11B2 60/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO CYP19A1 139/4885CYP11B1 37/4885CYP11B2 38/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 CYP19A1 27/4885CYP11B1 54/4885CYP11B2 47/4885

“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.