SCHEMBL6734368

SCHEMBL6734368

CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
MAPT P10636 4/20 0.52
LMNA P02545 3/20 0.52
SMARCA2 P51531 1/20 0.48
SMARCA4 P51532 1/20 0.48
PBRM1 Q86U86 1/20 0.48
GPR119 Q8TDV5 4/20 0.47
POLB P06746 1/20 0.45
THRB P10828 1/20 0.45
KMT2A Q03164 2/20 0.45
GPR174 Q9BXC1 2/20 0.43
SLC6A5 Q9Y345 1/20 0.43
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 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
SCHEMBL17958711 1.00 ALDH1A1 (0.52) ALDH1A1MAPTLMNASMARCA2SMARCA4
SCHEMBL28666823 0.90 MAPT (0.52) ALDH1A1MAPTLMNASMARCA2SMARCA4
SCHEMBL899938 0.89 ALDH1A1 (0.52) ALDH1A1MAPTLMNASMARCA2SMARCA4
SCHEMBL12543338 0.89 ALDH1A1 (0.52) ALDH1A1MAPTLMNASMARCA2SMARCA4
SCHEMBL12544047 0.89 ALDH1A1 (0.52) ALDH1A1MAPTLMNASMARCA2SMARCA4
SCHEMBL17644996 0.88 ALDH1A1 (0.50) ALDH1A1MAPTLMNASMARCA2SMARCA4
SCHEMBL17631049 0.88 ALDH1A1 (0.50) ALDH1A1MAPTLMNASMARCA2SMARCA4
SCHEMBL17631523 0.88 MAPT (0.46) ALDH1A1MAPTLMNASMARCA2SMARCA4
SCHEMBL17631525 0.88 MAPT (0.46) ALDH1A1MAPTLMNASMARCA2SMARCA4
SCHEMBL31236054 0.87 MAPT (0.47) ALDH1A1MAPTLMNAGPR119POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2016-08-04 US disclosed
WO-2015038417-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2015-03-19 WO disclosed
US-7671058-B2 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-03-02 US disclosed
US-7671058-B2 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-03-02 US disclosed
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-09-18 US disclosed
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-09-18 US disclosed
US-20040242591-A1 Oxazolidinone derivatives as pontential antimicrobials RANBAXY LABORATORIES LIMITED (IN) 2004-12-02 US disclosed
EP-1409464-A1 OXAZOLIDINONE DERIVATIVES AS POTENTIAL ANTIMICROBIALS RANBAXY LABORATORIES, LTD. (IN) 2004-04-21 EP disclosed
WO-2003008389-A1 OXAZOLIDINONE DERIVATIVES AS POTENTIAL ANTIMICROBIALS RANBAXY LABORATORIES LIMITED (IN) 2003-01-30 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 (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-20040242591-A1 Oxazolidinone derivatives as pontential antimicrobials PDK4, OXA1L, PPARD ALDH1A1 1234/4885MAPT 1094/4885LMNA 3499/4885
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS SRC, PTK2, FYN ALDH1A1 3377/4885MAPT 3391/4885LMNA 4743/4885
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives STAT6, RELA, NFKB2 ALDH1A1 2263/4885MAPT 4713/4885LMNA 2990/4885

“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.