SCHEMBL422232

SCHEMBL422232

NC(=O)c1c(Br)ccc2c1OCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.47
NPC1 O15118 7/20 0.37
RAB9A P51151 7/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CASP3 P42574 2/20 0.37
SENP7 Q9BQF6 2/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
RIPK2 O43353 1/20 0.36
TXNRD1 Q16881 1/20 0.36
TXNRD3 Q86VQ6 1/20 0.36
TXNRD2 Q9NNW7 1/20 0.36
SRD5A2 P31213 1/20 0.36
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 3/20 0.35
ATM Q13315 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL27967472 0.86 AOC3 (0.50) AOC3NPC1RAB9ASMN1; SMN2CASP3
SCHEMBL423788 0.84 AOC3 (0.49) AOC3NPC1RAB9ASMN1; SMN2CASP3
SCHEMBL12071539 0.83 AOC3 (0.47) AOC3NPC1RAB9ASMN1; SMN2CASP3
SCHEMBL13485804 0.81 AOC3 (0.46) AOC3NPC1RAB9ASMN1; SMN2CASP3
SCHEMBL26054366 0.79 AOC3 (0.44) AOC3NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8470586 0.79 AOC3 (0.44) AOC3NPC1RAB9ASMN1; SMN2CASP3
SCHEMBL29284912 0.76 AOC3 (0.44) AOC3NPC1RAB9ASMN1; SMN2CASP3
SCHEMBL30507560 0.72 AOC3 (0.50) AOC3NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4493536 0.72 AOC3 (0.50) AOC3NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4031896 0.72 AOC3 (0.50) AOC3NPC1RAB9ASMN1; SMN2MAPT

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 5 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-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

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 AOC3 1426/4885NPC1 2668/4885RAB9A 3576/4885

“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.