SCHEMBL14739313

SCHEMBL14739313

COc1cc2c(cc1OCc1ccccc1)C(C)=NCC2

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.68
KDM4E B2RXH2 2/20 0.68
ALDH1A1 P00352 1/20 0.68
GAA P10253 1/20 0.68
MAPT P10636 1/20 0.68
GLA P06280 1/20 0.60
RCE1 Q9Y256 1/20 0.60
CHRNA7 P36544 2/20 0.53
GPR84 Q9NQS5 1/20 0.49
RAD52 P43351 2/20 0.49
PKM P14618 1/20 0.49
HTR1A P08908 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR7 P34969 1/20 0.47
HTR2B P41595 1/20 0.47

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
SCHEMBL3059339 1.00 MAOA (0.68) MAOAKDM4EALDH1A1GAAMAPT
SCHEMBL14755353 0.87 MAOA (0.51) MAOAKDM4EALDH1A1GAAMAPT
SCHEMBL17381541 0.86 KDM4E (0.70) MAOAKDM4EALDH1A1GAAMAPT
SCHEMBL11715443 0.85 MAPK10 (0.65) KDM4EALDH1A1GLARCE1CHRNA7
SCHEMBL7987730 0.85 KDM4E (0.68) MAOAKDM4EALDH1A1GAAMAPT
SCHEMBL11719015 0.85 MAPK10 (0.65) KDM4EALDH1A1GLARCE1CHRNA7
Hydrochloric Acid SCHEMBL11713492 0.84 MAPK10 (0.63) KDM4EALDH1A1MAPTGLARCE1
SCHEMBL1148346 0.82 MAOA (1.00) MAOAKDM4EALDH1A1GAAMAPT
SCHEMBL11240914 0.82 RAD52 (0.72) KDM4EALDH1A1GLARCE1CHRNA7
SCHEMBL18736054 0.82 RAD52 (0.69) KDM4EALDH1A1GLARCE1CHRNA7

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-8933096-B2 Antimicrobial agents Rugers, The State University of New Jersey (US) 2015-01-13 US disclosed
US-20130116278-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2013-05-09 US disclosed
US-20130059882-A1 8-Phenylisoquinolines And Pharmaceutical Composition Used In Treatment For Sepsis NATIONAL TAIWAN UNIVERSITY (TW) 2013-03-07 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-20130116278-A1 ANTIMICROBIAL AGENTS MRPL21, ARG1, RPP30 MAOA 3269/4885KDM4E 2572/4885ALDH1A1 3341/4885
US-20130059882-A1 8-Phenylisoquinolines And Pharmaceutical Composition Used In Treatment For Sepsis CXCL8, THPO, IL18 MAOA 2770/4885KDM4E 3539/4885ALDH1A1 2998/4885

“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.