SCHEMBL4826536

SCHEMBL4826536

CC1CN(c2ccc([N+](=O)[O-])cc2F)CCN1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.73
LMNA P02545 3/20 0.73
KMT2A Q03164 1/20 0.56
MAPT P10636 3/20 0.55
HTT P42858 2/20 0.50
THRB P10828 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.45
RECQL P46063 1/20 0.45
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PNMT P11086 2/20 0.42

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
SCHEMBL31702110 1.00 ALDH1A1 (0.73) ALDH1A1LMNAKMT2AMAPTHTT
SCHEMBL3199661 0.85 ALDH1A1 (0.55) ALDH1A1LMNAKMT2AMAPTHTT
SCHEMBL1046567 0.85 HTT (0.67) ALDH1A1LMNAKMT2AMAPTHTT
SCHEMBL1046568 0.85 HTT (0.67) ALDH1A1LMNAKMT2AMAPTHTT
SCHEMBL28758438 0.84 ALDH1A1 (0.53) ALDH1A1LMNAKMT2AMAPTTHRB
SCHEMBL522009 0.81 ALDH1A1 (0.69) ALDH1A1LMNAKMT2AMAPTTHRB
SCHEMBL29493728 0.81 ALDH1A1 (0.69) ALDH1A1LMNAKMT2AMAPTTHRB
Hydrochloric Acid SCHEMBL4003615 0.80 ALDH1A1 (0.68) ALDH1A1LMNAKMT2AMAPTTHRB
Hydrochloric Acid SCHEMBL30255520 0.80 ALDH1A1 (0.68) ALDH1A1LMNAKMT2AMAPTTHRB
SCHEMBL4812720 0.80 ALDH1A1 (0.64) ALDH1A1LMNAKMT2AMAPTHTT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107374-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-05-19 US claimed
US-7671058-B2 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-03-02 US disclosed
US-7442698-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2008-10-28 US disclosed
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-09-18 US disclosed
EP-1682531-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-07-26 EP disclosed
EP-1654238-A1 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AMGEN INC. (US) 2006-05-10 EP disclosed
US-20050107374-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-05-19 US disclosed
WO-2005042518-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2005-05-12 WO disclosed
WO-2005009978-A1 2-AMINOPYRIMIDINE AND 2-AMINOPYRIDINE-4-CARBAMATES FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AMGEN INC. (US) 2005-02-03 WO disclosed
US-20050026914-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-02-03 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 (3 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-20050026914-A1 Substituted heterocyclic compounds and methods of use NFATC1, ICOS, BET1 ALDH1A1 370/4885LMNA 4524/4885KMT2A 3699/4885
US-20050107374-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 ALDH1A1 1063/4885LMNA 4131/4885KMT2A 3518/4885
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives STAT6, RELA, NFKB2 ALDH1A1 2263/4885LMNA 2990/4885KMT2A 3606/4885

“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.