SCHEMBL424924

SCHEMBL424924

COc1cc2c(I)ccc(NC(=O)OC(C)(C)C)c2cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
CTSL P07711 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
NR1I2 O75469 1/20 0.39
EGFR P00533 3/20 0.38
KDR P35968 3/20 0.38
PIK3CD O00329 1/20 0.38
ABL1 P00519 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CG P48736 1/20 0.38
BACE1 P56817 1/20 0.38
PRKDC P78527 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
JAK2 O60674 1/20 0.36
ABCB1 P08183 1/20 0.36

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
SCHEMBL24150817 0.84 NR1I2 (0.42) ALDH1A1GAACTSLNR1I2HTT
SCHEMBL12715632 0.79 HTT (0.46) KDM4EALDH1A1GAANR1I2EGFR
SCHEMBL421016 0.78 MAPK14 (0.47) KDM4EALDH1A1GAACTSLKMT2A
SCHEMBL10132717 0.78 MTNR1A (0.46) KDM4EALDH1A1GAACTSLMTNR1A
SCHEMBL21375591 0.76 PDGFRA (0.55) EGFRKDRPIK3CDABL1PIK3CA
SCHEMBL29178758 0.76 ALDH1A1 (0.56) KDM4EALDH1A1GAACYP17A1KMT2A
SCHEMBL15457550 0.76 EPHX1 (0.57) ALDH1A1GAAEGFRKDRPIK3CD
SCHEMBL2589170 0.74 ALDH1A1 (0.63) KDM4EALDH1A1GAAKMT2A
SCHEMBL26796625 0.74 ALDH1A1 (0.48) KDM4EALDH1A1GAAEGFRKDR
SCHEMBL21549466 0.74 HPGD (0.49) CYP17A1KMT2ACA12CA1CA9

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 9 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
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 KDM4E 536/4885ALDH1A1 3095/4885GAA 1906/4885

“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.