SCHEMBL427403

SCHEMBL427403

Cc1ccc([N+](=O)[O-])cc1N1CCN(C)CC1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.59
ALDH1A1 P00352 9/20 0.57
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
LMNA P02545 4/20 0.55
GAA P10253 2/20 0.55
WDR5 P61964 6/20 0.54
HTT P42858 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
POLB P06746 1/20 0.52
TSHR P16473 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KDM4E B2RXH2 1/20 0.51

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
Hydrochloric Acid SCHEMBL5827767 0.98 SIRT6 (0.58) SIRT6ALDH1A1KMT2AMEN1LMNA
SCHEMBL30410222 0.88 ALDH1A1 (0.61) SIRT6ALDH1A1KMT2AMEN1LMNA
SCHEMBL398803 0.88 ALDH1A1 (0.61) SIRT6ALDH1A1KMT2AMEN1LMNA
SCHEMBL5765261 0.87 GAA (0.62) ALDH1A1KMT2AMEN1LMNAGAA
SCHEMBL10127825 0.87 KMT2A (0.47) SIRT6ALDH1A1KMT2AMEN1LMNA
SCHEMBL328460 0.83 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1LMNAGAA
SCHEMBL5205570 0.83 ADRB1 (0.58) SIRT6ALDH1A1KMT2AMEN1LMNA
SCHEMBL7803729 0.83 HTT (0.60) SIRT6ALDH1A1KMT2AMEN1LMNA
SCHEMBL9300572 0.83 ALDH1A1 (0.58) SIRT6ALDH1A1KMT2ALMNAGAA
SCHEMBL7795268 0.83 ALDH1A1 (0.58) SIRT6ALDH1A1KMT2AMEN1LMNA

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 18 patents. 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-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US 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
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-7507748-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-03-24 US disclosed
US-20070185171-A1 Compounds and methods of use AMGEN INC. 2007-08-09 US disclosed
EP-1170288-B9 Diphenylureum derivatives and their use as alpha2/5-HT2c antagonists SERVIER LAB (FR) 2005-01-26 EP disclosed
EP-1170288-B1 Diphenylureum derivatives and their use as alpha2/5-HT2c antagonists SERVIER LAB (FR) 2004-08-11 EP disclosed
EP-1170288-A2 Diphenylureum derivatives and their use as alpha2/5-HT2c antagonists LES LABORATOIRES SERVIER (FR) 2002-01-09 EP disclosed
EP-0533268-B1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LTD (GB) 2001-08-16 EP disclosed
US-5510350-A USEFUL IN TREATMENT OR PROPHYLAXIS OF DEPRESSION AND OTHER CENTRAL NERVOUS SYSTEM DISORDERS GLAXO GROUP LIMITED (GB) 1996-04-23 US disclosed
US-5340810-A Useful in the treatment and prophylaxis of depression and other disorders of the central nervous system GLAXO GROUP LIMITED (GB) 1994-08-23 US disclosed
EP-0533268-A1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LIMITED (GB) 1993-03-24 EP 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 (4 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-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO SIRT6 449/4885ALDH1A1 327/4885KMT2A 1046/4885
US-20070185171-A1 Compounds and methods of use VHL, PGF, PTGIS SIRT6 582/4885ALDH1A1 326/4885KMT2A 3897/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO SIRT6 449/4885ALDH1A1 327/4885KMT2A 1046/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 SIRT6 585/4885ALDH1A1 104/4885KMT2A 1075/4885

“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.