SCHEMBL421016

SCHEMBL421016

COc1cc2cccc(NC(=O)OC(C)(C)C)c2cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.47
PLAU P00749 1/20 0.46
CTSL P07711 1/20 0.46
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 5/20 0.44
HPGD P15428 5/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 2/20 0.44
RXFP1 Q9HBX9 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.41
RECQL P46063 1/20 0.41
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.40
ATM Q13315 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40

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
SCHEMBL14433303 0.83 TRPV1 (0.53) PLAUALDH1A1KDM4EHPGDKMT2A
SCHEMBL2396852 0.80 ALDH1A1 (0.63) MAPK14ALDH1A1KDM4EHPGDKMT2A
SCHEMBL6101638 0.80 NQO2 (0.51) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL487254 0.80 TRPV1 (0.64) KDM4EKMT2AMEN1MAPTTRPV1
SCHEMBL31680675 0.80 TRPV1 (0.64) KDM4EKMT2AMEN1MAPTTRPV1
SCHEMBL30077817 0.78 RXFP1 (0.46) MAPK14PLAUALDH1A1KDM4EHPGD
SCHEMBL27453735 0.78 RXFP1 (0.46) MAPK14PLAUALDH1A1KDM4EHPGD
SCHEMBL3729968 0.78 ALDH1A1 (0.45) MAPK14PLAUALDH1A1KDM4EHPGD
SCHEMBL424924 0.78 KDM4E (0.45) CTSLALDH1A1KDM4EKMT2AGAA
SCHEMBL29991357 0.78 KMT2A (0.59) ALDH1A1KDM4EKMT2AMEN1GAA

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 8 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
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 MAPK14 1010/4885PLAU 4491/4885CTSL 1077/4885

“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.