SCHEMBL426530

SCHEMBL426530

COc1cc2c(N)ccc(-c3ccc(-c4ccccc4)cc3)c2cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
EP300 Q09472 1/20 0.46
KAT8 Q9H7Z6 1/20 0.46
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP3A4 P08684 2/20 0.46
TSHR P16473 1/20 0.46
ACACA Q13085 1/20 0.44
ADORA1 P30542 2/20 0.42
FYN P06241 2/20 0.41
MAPT P10636 1/20 0.41
CASP1 P29466 1/20 0.41
WHR1 P49842 1/20 0.40
ADRA2B P18089 1/20 0.40
PTGS1 P23219 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
AAK1 Q2M2I8 1/20 0.39

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
SCHEMBL10132731 0.97 IDO1 (0.50) IDO1EP300KAT8ALDH1A1HSD17B10
SCHEMBL12074249 0.78 ACACA (0.46) ALDH1A1HSD17B10CYP3A4TSHRACACA
SCHEMBL13283973 0.78 PDE10A (0.43) ALDH1A1HSD17B10CYP3A4ACACAMAPT
SCHEMBL14903926 0.78 ACACA (0.43) ALDH1A1HSD17B10CYP3A4TSHRACACA
SCHEMBL12425210 0.77 BACE1 (0.45) EP300ALDH1A1HSD17B10CYP3A4TSHR
SCHEMBL25486860 0.77 ALDH1A1 (0.50) IDO1EP300KAT8ALDH1A1HSD17B10
SCHEMBL8267913 0.75 ALDH1A1 (0.48) IDO1EP300KAT8ALDH1A1HSD17B10
SCHEMBL358211 0.75 ALDH1A1 (0.80) IDO1ALDH1A1HSD17B10TDP1CYP3A4
Tannin Pyrogallol SCHEMBL7671492 0.73 CYP3A4 (0.52) ALDH1A1HSD17B10TDP1CYP3A4TSHR
SCHEMBL5961843 0.73 CYP3A4 (0.53) ALDH1A1HSD17B10TDP1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 US disclosed
US-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 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-8741917-B2 Benzo [C] phenanthridines as antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-06-03 US disclosed
US-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 US disclosed
US-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 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
WO-2011163610-A2 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-29 WO 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

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-20130109713-A1 ANTIMICROBIAL AGENTS RPS4X, RPS4Y1, MRPL21 IDO1 3051/4885EP300 1857/4885KAT8 1162/4885
US-20120022061-A1 BENZO [C] PHENANTHRIDINES AS ANTIMICROBIAL AGENTS CCNT1, XPO4, XDH IDO1 1056/4885EP300 2319/4885KAT8 2510/4885

“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.