SCHEMBL128761

SCHEMBL128761

COc1cc2cc[n+]3cc4cc(C)c(C)cc4cc3c2cc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
CYP3A4 P08684 4/20 0.42
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ACHE P22303 1/20 0.37
PTGS2 P35354 2/20 0.36
CYP19A1 P11511 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL13076900 0.95 CYP3A4 (0.46) MAPTCYP3A4PDGFRBPDGFRAADORA3
SCHEMBL129004 0.86 CYP3A4 (0.47) MAPTCYP3A4PDGFRBPDGFRAACHE
SCHEMBL128098 0.84 CYP3A4 (0.47) MAPTCYP3A4ACHEMEN1KMT2A
SCHEMBL127911 0.83 KMT2A (0.55) MAPTCYP3A4PDGFRBPDGFRAADORA3
SCHEMBL128772 0.82 CYP3A4 (0.46) MAPTCYP3A4PDGFRBPDGFRAMEN1
SCHEMBL193612 0.81 MAPT (0.52) MAPTCYP3A4PDGFRBPDGFRAACHE
SCHEMBL13076897 0.78 CYP3A4 (0.63) MAPTCYP3A4PDGFRBPDGFRAADORA3
SCHEMBL198013 0.78 CYP3A4 (0.51) MAPTCYP3A4PDGFRBPDGFRAACHE
SCHEMBL128791 0.78 CYP3A4 (0.44) MAPTCYP3A4ACHEMEN1KMT2A
SCHEMBL179695 0.78 CYP3A4 (0.53) MAPTCYP3A4PDGFRBPDGFRAACHE

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 3 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

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 MAPT 4740/4885CYP3A4 464/4885PDGFRB 4762/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L MAPT 4773/4885CYP3A4 629/4885PDGFRB 4732/4885

“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.