SCHEMBL419966

SCHEMBL419966

O=[N+]([O-])c1cccc2cc(O)c(O)cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
TDP1 Q9NUW8 3/20 0.55
CASP6 P55212 1/20 0.54
GPR35 Q9HC97 3/20 0.53
CTSB P07858 1/20 0.50
CDK2 P24941 1/20 0.48
TSHR P16473 2/20 0.47
CYP3A4 P08684 1/20 0.44
APEX1 P27695 1/20 0.44
MAOA P21397 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
PDE10A Q9Y233 1/20 0.43
ERN1 O75460 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 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
SCHEMBL14859939 0.86 ALDH1A1 (0.51) ALDH1A1TDP1CASP6GPR35CTSB
SCHEMBL9735773 0.86 ALDH1A1 (0.69) ALDH1A1TDP1CASP6GPR35TSHR
SCHEMBL9734521 0.84 ALDH1A1 (0.67) ALDH1A1TDP1CASP6GPR35TSHR
SCHEMBL14867804 0.84 ALDH1A1 (0.53) ALDH1A1TDP1CASP6GPR35CTSB
SCHEMBL9608367 0.84 ALDH1A1 (0.53) ALDH1A1TDP1CASP6GPR35CTSB
SCHEMBL9609210 0.82 ALDH1A1 (0.50) ALDH1A1TDP1CASP6GPR35CTSB
SCHEMBL28577614 0.82 ALDH1A1 (0.50) ALDH1A1TDP1CASP6GPR35CTSB
SCHEMBL579426 0.81 ALDH1A1 (0.68) ALDH1A1TDP1CASP6GPR35CTSB
SCHEMBL30696914 0.81 ALDH1A1 (0.68) ALDH1A1TDP1CASP6GPR35CTSB
SCHEMBL2934866 0.80 ALDH1A1 (0.61) ALDH1A1TDP1CASP6GPR35CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741917-B2 Benzo [C] phenanthridines as antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-06-03 US disclosed
US-8741917-B2 Benzo [C] phenanthridines as antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-06-03 US disclosed
US-8741917-B2 Benzo [C] phenanthridines as antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-06-03 US disclosed
US-20120022061-A1 BENZO [C] PHENANTHRIDINES AS ANTIMICROBIAL AGENTS RUGTERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-01-26 US disclosed
US-20120022061-A1 BENZO [C] PHENANTHRIDINES AS ANTIMICROBIAL AGENTS RUGTERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-01-26 US disclosed
US-20120022061-A1 BENZO [C] PHENANTHRIDINES AS ANTIMICROBIAL AGENTS RUGTERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-01-26 US disclosed
EP-2387564-A1 BENZO ÝC¨PHENANTHRIDINES AS ANTIMICROBIAL AGENTS Rutgers, The State University of New Jersey (US) 2011-11-23 EP disclosed
US-8037884-B2 Modular system for patient positioning during medical procedures ALLEN MEDICAL SYSTEMS, INC. (US) 2011-10-18 US disclosed
WO-2010083436-A1 BENZO [C] PHENANTHRIDINES AS ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-07-22 WO disclosed
WO-2010083436-A1 BENZO [C] PHENANTHRIDINES AS ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-07-22 WO disclosed
CN-1051077-C Process for preparing benzo[c] phenanthridinium derivatives and compounds prepared by said process NIPPON KAYAKU KK (JP) 2000-04-05 CN disclosed
EP-0487930-B1 Benzo[C]phenanthridinium derivatives NIPPON KAYAKU KK (JP) 1999-03-24 EP disclosed
US-5747502-A ANTITUMOR AGENTS, ANTIGROWTH AGENTS AND ANTICARCINOGENIC AGENTS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1998-05-05 US disclosed
CN-1061964-A The preparation method of benzo [C] phenanthridines  derivative and the new compound for preparing with described method NIPPON KAYAKU KK (JP) 1992-06-17 CN disclosed
EP-0487930-A1 Process for preparing benzo[C]phenanthridinium derivatives, and novel compounds prepared by said process NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1992-06-03 EP disclosed
US-4333877-A Substituted 2,7-dioxo-2,7-dihydrobenzo[1:2-b; 5:6-b1 ]difuran or -dipyrrole dyestuffs, their preparation and their use IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-06-08 US disclosed
EP-0023080-A1 Substituted 2,7-dioxo-2,7-dihydrobenzo(1:2-b; 5,6-b1)difuran or dipyrrole dyestuffs, processes for their preparation and their use for the colouration of aromatic polyester textile materials IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-01-28 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 (1 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-20120022061-A1 BENZO [C] PHENANTHRIDINES AS ANTIMICROBIAL AGENTS CCNT1, XPO4, XDH ALDH1A1 3095/4885TDP1 1005/4885CASP6 350/4885

“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.