SCHEMBL445964

SCHEMBL445964

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
GALR3 O60755 1/20 0.42
ERN1 O75460 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 6/20 0.37
TSHR P16473 2/20 0.36
NR1H4 Q96RI1 2/20 0.36
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.34
PNMT P11086 1/20 0.34
PTGES O14684 1/20 0.34
AR P10275 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL445965 1.00 HTT (0.42) HTTKMT2ASMN1; SMN2L3MBTL1MEN1
SCHEMBL5258243 0.85 HTT (0.41) HTTKMT2ASMN1; SMN2L3MBTL1MEN1
SCHEMBL445878 0.83 ERN1 (0.42) HTTKMT2ASMN1; SMN2L3MBTL1MEN1
SCHEMBL445879 0.83 ERN1 (0.42) HTTKMT2ASMN1; SMN2L3MBTL1MEN1
SCHEMBL447370 0.80 HRH3 (0.44) HTTKMT2ASMN1; SMN2L3MBTL1MEN1
SCHEMBL447371 0.80 HRH3 (0.44) HTTKMT2ASMN1; SMN2L3MBTL1MEN1
SCHEMBL16954117 0.78 SMN1; SMN2 (0.50) HTTKMT2ASMN1; SMN2L3MBTL1MEN1
SCHEMBL7132296 0.76 HRH3 (0.40) HTTKMT2ASMN1; SMN2L3MBTL1MEN1
SCHEMBL7132298 0.76 HRH3 (0.40) HTTKMT2ASMN1; SMN2L3MBTL1MEN1
SCHEMBL29218879 0.75 SMN1; SMN2 (0.46) HTTKMT2ASMN1; SMN2L3MBTL1MEN1

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 33 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
US-20040204437-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2004-10-14 US disclosed
US-20040087568-A1 Substituted anthranilic amide derivatives and methods of use AMGEN INC. 2004-05-06 US disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US 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-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 (11 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-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC HTT 1717/4885KMT2A 960/4885SMN1; SMN2 1447/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR HTT 1392/4885KMT2A 1457/4885SMN1; SMN2 2424/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO HTT 1959/4885KMT2A 1313/4885SMN1; SMN2 2090/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO HTT 1813/4885KMT2A 1046/4885SMN1; SMN2 1829/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR HTT 1392/4885KMT2A 1457/4885SMN1; SMN2 2424/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 HTT 2723/4885KMT2A 1259/4885SMN1; SMN2 1788/4885
US-20040087568-A1 Substituted anthranilic amide derivatives and methods of use AADAC, ASPH, EGLN3 HTT 3607/4885KMT2A 1930/4885SMN1; SMN2 3639/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR HTT 1392/4885KMT2A 1457/4885SMN1; SMN2 2424/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 HTT 2723/4885KMT2A 1259/4885SMN1; SMN2 1788/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO HTT 1813/4885KMT2A 1046/4885SMN1; SMN2 1829/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 HTT 3166/4885KMT2A 1075/4885SMN1; SMN2 2577/4885

“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.