SCHEMBL445669

SCHEMBL445669

C[n+]1ccc(-c2cc([N+](=O)[O-])ccc2C(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GALR3 O60755 1/20 0.45
HTT P42858 1/20 0.45
PTPRC P08575 3/20 0.40
S100A4 P26447 2/20 0.40
PTGS2 P35354 2/20 0.39
ALDH1A1 P00352 5/20 0.38
TDP1 Q9NUW8 3/20 0.38
TSHR P16473 2/20 0.38
CYP3A4 P08684 3/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
MCL1 Q07820 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
CES1 P23141 1/20 0.36
CASP3 P42574 2/20 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
SCHEMBL7016197 0.92 PABPC1 (0.43) SMN1; SMN2L3MBTL1MEN1KMT2AGALR3
SCHEMBL447975 0.81 CYP19A1 (0.46) SMN1; SMN2L3MBTL1MEN1KMT2AGALR3
SCHEMBL429604 0.80 ALDH1A1 (0.53) SMN1; SMN2MEN1KMT2APTPRCS100A4
SCHEMBL28506919 0.77 ALDH1A1 (0.46) MEN1KMT2APTPRCS100A4PTGS2
Iodide SCHEMBL28504446 0.76 ALDH1A1 (0.45) MEN1KMT2APTPRCS100A4PTGS2
SCHEMBL25882279 0.73 HSD17B10 (0.50) ALDH1A1KDM4EMAPTACHECA1
SCHEMBL11654599 0.73 SMN1; SMN2 (0.60) SMN1; SMN2L3MBTL1MEN1KMT2AGALR3
SCHEMBL2031510 0.73 ALDH1A1 (0.52) SMN1; SMN2L3MBTL1MEN1KMT2AGALR3
SCHEMBL428936 0.71 ALDH1A1 (0.37) SMN1; SMN2L3MBTL1MEN1KMT2AGALR3
SCHEMBL446475 0.71 TDP1 (0.55) SMN1; SMN2L3MBTL1MEN1KMT2AGALR3

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 SMN1; SMN2 2090/4885L3MBTL1 2156/4885MEN1 1464/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO SMN1; SMN2 1829/4885L3MBTL1 1828/4885MEN1 1584/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR SMN1; SMN2 2424/4885L3MBTL1 1533/4885MEN1 2237/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 SMN1; SMN2 1788/4885L3MBTL1 2529/4885MEN1 664/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR SMN1; SMN2 2424/4885L3MBTL1 1533/4885MEN1 2237/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 SMN1; SMN2 1788/4885L3MBTL1 2529/4885MEN1 664/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO SMN1; SMN2 1829/4885L3MBTL1 1828/4885MEN1 1584/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 SMN1; SMN2 2577/4885L3MBTL1 2679/4885MEN1 1555/4885

“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.