SCHEMBL448111

SCHEMBL448111

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.50
ACHE P22303 1/20 0.50
HSD11B1 P28845 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA5A P35218 2/20 0.46
CA9 Q16790 2/20 0.46
ALDH1A1 P00352 5/20 0.45
RECQL P46063 1/20 0.45
KDM4E B2RXH2 1/20 0.44
APP P05067 1/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.43
FBP1 P09467 1/20 0.42
CES1 P23141 1/20 0.42
MAPT P10636 1/20 0.41
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 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
SCHEMBL26218765 0.84 HSD17B10 (0.47) HSD17B10ACHEHSD11B1CA1CA2
SCHEMBL28809138 0.82 HSD17B10 (0.48) HSD17B10ACHEHSD11B1CA1CA2
SCHEMBL6671840 0.80 HSD17B10 (0.56) HSD17B10ACHEHSD11B1CA1CA2
SCHEMBL677959 0.80 HSD17B10 (0.56) HSD17B10ACHEHSD11B1CA1CA2
SCHEMBL1538287 0.80 HSD17B10 (0.56) HSD17B10ACHEHSD11B1CA1CA2
SCHEMBL397351 0.80 HSD17B10 (0.56) HSD17B10ACHEHSD11B1CA1CA2
SCHEMBL28551166 0.78 HSD17B10 (0.54) HSD17B10ACHEHSD11B1CA1CA2
SCHEMBL426201 0.77 HSD17B10 (0.44) HSD17B10ACHEHSD11B1CA1CA2
SCHEMBL2145337 0.77 HSD17B10 (0.52) HSD17B10ACHEHSD11B1CA1CA2
SCHEMBL677900 0.77 HSD17B10 (0.52) HSD17B10ACHEHSD11B1CA1CA2

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 27 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
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
US-7960569-B2 Such as 3-(2-isopropylphenyl)-N-phenyl-1H-indol-1-carboxamide; purinergic receptors (P2Y1) BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-14 US disclosed
EP-2311829-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2011-04-20 EP disclosed
US-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2010-09-30 US disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
CN-101679215-A New benzamide derivatives as the follicle stimulating hormone conditioning agent ADDEX PHARMA SA 2010-03-24 CN disclosed
EP-2134676-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE Addex Pharma SA (CH) 2009-12-23 EP disclosed
US-6995162-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2006-02-07 US disclosed
US-20050261313-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2005-11-24 US disclosed
CN-1671700-A Substituted alkylamine derivatives and methods of use AMGEN INC (US) 2005-09-21 CN disclosed
EP-1537084-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF Amgen Inc. (US) 2005-06-08 EP disclosed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 US disclosed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF 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
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 EP disclosed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 US disclosed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 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 (6 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 HSD17B10 1803/4885ACHE 2030/4885HSD11B1 1388/4885
US-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE FSHR, GNRHR, SHBG HSD17B10 3064/4885ACHE 1629/4885HSD11B1 1687/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO HSD17B10 1253/4885ACHE 2254/4885HSD11B1 1168/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO HSD17B10 1528/4885ACHE 2145/4885HSD11B1 1190/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC HSD17B10 1803/4885ACHE 2030/4885HSD11B1 1388/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO HSD17B10 1528/4885ACHE 2145/4885HSD11B1 1190/4885

“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.