SCHEMBL10688641

SCHEMBL10688641

O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCCn1ccnc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 2/20 0.60
PABPC1 P11940 2/20 0.60
KDM4E B2RXH2 1/20 0.59
MEN1 O00255 1/20 0.59
POLB P06746 1/20 0.59
MAPT P10636 1/20 0.59
S1PR1 P21453 1/20 0.59
HTT P42858 1/20 0.59
RAD52 P43351 1/20 0.59
RECQL P46063 1/20 0.59
RAB9A P51151 1/20 0.59
KMT2A Q03164 1/20 0.59
PAX8 Q06710 1/20 0.59
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 2/20 0.54
LCK P06239 1/20 0.54
NTRK1 P04629 1/20 0.49
NGFR P08138 1/20 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
SCHEMBL10687035 0.98 FTO (0.60) FTOPABPC1KDM4EMEN1POLB
SCHEMBL3857769 0.87 FTO (0.67) FTOPABPC1KDM4EMEN1POLB
SCHEMBL10690041 0.84 HEXA (0.57) MEN1POLBRAD52KMT2A
SCHEMBL10688300 0.82 HEXA (0.59) MEN1POLBRAD52KMT2A
SCHEMBL10687742 0.82 KDM4E (0.48) KDM4EPOLBRAD52
SCHEMBL10685366 0.81 HEXA (0.58) MEN1POLBRAD52KMT2A
SCHEMBL10690695 0.81 HEXA (0.58) MEN1POLBRAD52KMT2A
SCHEMBL9501871 0.81 MEN1 (0.79) FTOPABPC1KDM4EMEN1POLB
SCHEMBL10691359 0.81 FTO (0.58) FTOPABPC1KDM4EMEN1POLB
SCHEMBL14560564 0.80 FTO (0.73) FTOPABPC1KDM4EMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4782064-A THROMBOXANE SYNTHETASE INHIBITORS AMERICAN CYANAMID CO. (US) 1988-11-01 US claimed
US-7579468-B2 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2009-08-25 US disclosed
US-7579468-B2 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2009-08-25 US disclosed
US-20070093474-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2007-04-26 US disclosed
US-20070093474-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2007-04-26 US disclosed
WO-2007030940-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORPORATION (CA) 2007-03-22 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-20070093474-A1 Methods of modulating neurotrophin-mediated activity NGF, BDNF, NTRK2 FTO 4015/4885PABPC1 3436/4885KDM4E 4479/4885

“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.