SCHEMBL194997

SCHEMBL194997

COc1cc2ccnc(C(=O)c3ccc(OC)c(OC)c3)c2cc1Br

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.83
SENP6 Q9GZR1 4/20 0.83
SENP8 Q96LD8 3/20 0.83
SENP7 Q9BQF6 3/20 0.83
APAF1 O14727 2/20 0.83
NSD2 O96028 2/20 0.83
L3MBTL1 Q9Y468 2/20 0.83
TDP2 O95551 1/20 0.65
PPP1CA P62136 1/20 0.65
SAE1 Q9UBE0 1/20 0.65
UBA2 Q9UBT2 1/20 0.65
KDM4E B2RXH2 1/20 0.60
LMNA P02545 2/20 0.51
CYP1A2 P05177 3/20 0.50
CYP2C19 P33261 3/20 0.50
ALDH1A1 P00352 3/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
TSHR P16473 2/20 0.50
IGFBP3 P17936 2/20 0.49

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
SCHEMBL29412940 0.91 CASP3 (1.00) CASP3SENP6SENP8SENP7APAF1
SCHEMBL679695 0.91 CASP3 (1.00) CASP3SENP6SENP8SENP7APAF1
SCHEMBL129810 0.88 CASP3 (0.65) CASP3SENP6SENP8SENP7APAF1
SCHEMBL21690572 0.80 CASP3 (0.79) CASP3SENP6SENP8SENP7APAF1
SCHEMBL23457757 0.80 CASP3 (0.78) CASP3SENP6SENP8SENP7APAF1
SCHEMBL23458028 0.80 CASP3 (0.78) CASP3SENP6SENP8SENP7APAF1
SCHEMBL21690569 0.79 CASP3 (0.77) CASP3SENP6SENP8SENP7APAF1
SCHEMBL23458036 0.78 CASP3 (0.76) CASP3SENP6SENP8SENP7APAF1
SCHEMBL23457440 0.77 CASP3 (0.74) CASP3SENP6SENP8SENP7APAF1
SCHEMBL2463171 0.76 CASP3 (0.71) CASP3SENP6SENP8SENP7APAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9227966-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-01-05 US disclosed
US-20140315939-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-23 US disclosed
US-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-08 US disclosed
WO-2010127307-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-11-04 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-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L CASP3 83/4885SENP6 2656/4885SENP8 3285/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L CASP3 82/4885SENP6 2580/4885SENP8 3281/4885

“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.