SCHEMBL426014

SCHEMBL426014

COc1cc2cccc(N)c2cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
ADRA2B P18089 1/20 0.48
PTGS1 P23219 1/20 0.48
IDO1 P14902 1/20 0.47
PDE10A Q9Y233 3/20 0.47
TLR8 Q9NR97 1/20 0.46
EP300 Q09472 1/20 0.46
KAT8 Q9H7Z6 1/20 0.46
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NQO1 P15559 1/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
KEAP1 Q14145 1/20 0.45
KDM4E B2RXH2 1/20 0.45
SLC2A1 P11166 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
SCHEMBL8315056 0.88 TLR8 (0.45) ALDH1A1TDP1ADRA2BPTGS1IDO1
SCHEMBL5749415 0.86 NQO1 (0.53) ALDH1A1TDP1ADRA2BPTGS1IDO1
SCHEMBL5747064 0.85 ALDH1A1 (0.50) ALDH1A1TDP1ADRA2BPTGS1IDO1
SCHEMBL8314710 0.79 TLR8 (0.50) ALDH1A1TDP1TLR8GAAMAPT
SCHEMBL29101871 0.78 ALDH1A1 (0.59) ALDH1A1TDP1ADRA2BPTGS1IDO1
SCHEMBL29351158 0.78 ALDH1A1 (0.62) ALDH1A1TDP1GAAMAPTSMN1; SMN2
SCHEMBL5545202 0.78 ALDH1A1 (0.62) ALDH1A1TDP1GAAMAPTSMN1; SMN2
SCHEMBL10163672 0.78 ALDH1A1 (0.50) ALDH1A1MAPTNQO1HPGDHSD17B10
SCHEMBL8501456 0.76 KDM4E (0.52) ALDH1A1PDE10AGAAMAPTNQO1
SCHEMBL11837586 0.76 KDM4E (0.41) ALDH1A1TDP1PDE10ATLR8GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9233911-B2 Cu-mediated annulation for the production of 1-amino-2-naphthalenecarboxylic acid derivatives COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-01-12 US disclosed
US-20150011781-A1 Cu-Mediated Annulation for the Production of 1-Amino-2-Naphthalenecarboxylic Acid Derivatives COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-01-08 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
WO-2013105117-A1 Cu-MEDIATED ANNULATION FOR THE PRODUCTION OF 1-AMINO-2-NAPHTHALENECARBOXYLIC ACID DERIVATIVES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-07-18 WO 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-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 WO 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-20150011781-A1 Cu-Mediated Annulation for the Production of 1-Amino-2-Naphthalenecarboxylic Acid Derivatives DDC, AOC2, AOC1 ALDH1A1 459/4885TDP1 2523/4885ADRA2B 2672/4885
US-20120022061-A1 BENZO [C] PHENANTHRIDINES AS ANTIMICROBIAL AGENTS CCNT1, XPO4, XDH ALDH1A1 3095/4885TDP1 1005/4885ADRA2B 3744/4885

“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.