SCHEMBL444981

SCHEMBL444981

CC(=O)N1Cc2cc([N+](=O)[O-])ccc2C(C)(C)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.46
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 2/20 0.43
BAZ2B Q9UIF8 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
NAMPT P43490 1/20 0.41
LCK P06239 1/20 0.41
RET P07949 1/20 0.41
PDGFRA P16234 1/20 0.41
KDR P35968 1/20 0.41
RAB9A P51151 1/20 0.40
ITGB2 P05107 1/20 0.40
ICAM1 P05362 1/20 0.40
ITGAL P20701 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39

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
SCHEMBL28408084 0.89 DPP7 (0.46) DPP7HPGDLMNATAS1R3TAS1R1
SCHEMBL20704237 0.87 DPP7 (0.45) DPP7ALDH1A1HPGDLMNABAZ2B
SCHEMBL14348619 0.85 DPP7 (0.43) DPP7HPGDTAS1R3TAS1R1TAS1R2
SCHEMBL30962669 0.85 DPP7 (0.43) DPP7HPGDTAS1R3TAS1R1TAS1R2
SCHEMBL1655858 0.83 ALDH1A1 (0.51) DPP7ALDH1A1LMNATAS1R3TAS1R1
SCHEMBL30561507 0.83 ALDH1A1 (0.51) DPP7ALDH1A1LMNATAS1R3TAS1R1
SCHEMBL14590719 0.83 DPP7 (0.59) DPP7ALDH1A1HPGDLMNABAZ2B
SCHEMBL11988475 0.80 NOTUM (0.42) DPP7BAZ2BTAS1R3TAS1R1TAS1R2
SCHEMBL5768587 0.80 LMNA (0.43) DPP7ALDH1A1HPGDLMNARAB9A
SCHEMBL450030 0.79 HSD17B3 (0.44) BAZ2BNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050153960-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2005-07-14 US claimed
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-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US disclosed
EP-1971604-B1 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC (US) 2012-08-01 EP 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-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 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
US-20040087568-A1 Substituted anthranilic amide derivatives and methods of use AMGEN INC. 2004-05-06 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
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

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-20050153960-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR DPP7 578/4885ALDH1A1 178/4885HPGD 116/4885
US-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC DPP7 2392/4885ALDH1A1 389/4885HPGD 358/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR DPP7 578/4885ALDH1A1 178/4885HPGD 116/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO DPP7 1954/4885ALDH1A1 261/4885HPGD 84/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO DPP7 1920/4885ALDH1A1 327/4885HPGD 125/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR DPP7 578/4885ALDH1A1 178/4885HPGD 116/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 DPP7 2052/4885ALDH1A1 192/4885HPGD 99/4885
US-20040087568-A1 Substituted anthranilic amide derivatives and methods of use AADAC, ASPH, EGLN3 DPP7 1486/4885ALDH1A1 540/4885HPGD 34/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR DPP7 578/4885ALDH1A1 178/4885HPGD 116/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 DPP7 2052/4885ALDH1A1 192/4885HPGD 99/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO DPP7 1920/4885ALDH1A1 327/4885HPGD 125/4885

“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.