SCHEMBL56971

SCHEMBL56971

CCc1cc(F)c([N+](=O)[O-])cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.52
ALOX15 P16050 2/20 0.49
ALOX12 P18054 2/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RAB9A P51151 1/20 0.47
TDP1 Q9NUW8 2/20 0.44
ATM Q13315 1/20 0.44
ESPL1 Q14674 1/20 0.44
ALDH1A1 P00352 3/20 0.43
TTR P02766 3/20 0.43
HIF1A Q16665 2/20 0.43
GPR35 Q9HC97 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL5133600 0.85 SNCA (0.45) SNCAALOX15ALOX12MEN1KMT2A
SCHEMBL9848594 0.85 MEN1 (0.56) SNCAALOX15ALOX12MEN1KMT2A
SCHEMBL28892661 0.82 SNCA (0.55) SNCAALOX15ALOX12MEN1KMT2A
SCHEMBL14752234 0.81 MEN1 (0.50) MEN1KMT2ARAB9ATDP1ATM
SCHEMBL810816 0.80 TDP1 (0.50) SNCAALOX15ALOX12MEN1KMT2A
SCHEMBL17261916 0.80 POLB (0.46) ALOX15MEN1KMT2ARAB9ATDP1
SCHEMBL2880608 0.80 ALDH1A1 (0.50) SNCAALOX15ALOX12MEN1KMT2A
SCHEMBL310541 0.80 SNCA (0.46) SNCAALOX15ALOX12MEN1KMT2A
SCHEMBL9282738 0.80 SNCA (0.46) SNCAALOX15ALOX12MEN1KMT2A
SCHEMBL811001 0.79 ALDH1A1 (0.53) SNCAALOX15ALOX12MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040693-B2 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20090325900-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
CN-101365680-A 3, 5-substituted piperidine compounds as renin inhibitors NOVARTIS AG (CH) 2009-02-11 CN disclosed
EP-1968940-A1 3 , 5-SUBSTITUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS Novartis AG (CH) 2008-09-17 EP disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO disclosed
EP-0485544-B1 OXIDATIVE HAIR DYE CONTAINING 3-AMINOPHENOL DERIVATIVES, PROCESS FOR OXIDATIVE DYEING OF HAIR AND NEW 3-AMINOPHENOL DERIVATIVES WELLA AG (DE) 1996-10-16 EP disclosed
US-5409503-A High color intensity red shades WELLA AKTIENGESELLSCHAFT (DE) 1995-04-25 US disclosed
EP-0485544-A1 OXIDATIVE HAIR DYE CONTAINING 3-AMINOPHENOL DERIVATIVES, PROCESS FOR OXIDATIVE DYEING OF HAIR AND NEW 3-AMINOPHENOL DERIVATIVES. WELLA AG (DE) 1992-05-20 EP disclosed
WO-1991018583-A1 OXIDATIVE HAIR DYE CONTAINING 3-AMINOPHENOL DERIVATIVES, PROCESS FOR OXIDATIVE DYEING OF HAIR AND NEW 3-AMINOPHENOL DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1991-12-12 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 (2 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 SNCA 1812/4885ALOX15 973/4885ALOX12 1476/4885
US-20090325900-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF SHBG, CYP19A1, NR5A1 SNCA 4134/4885ALOX15 92/4885ALOX12 183/4885

“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.