SCHEMBL15071002

SCHEMBL15071002

O=C(O)c1ccc(-c2nc(-c3ccc4oc5ccc(-c6nc(-c7ccccc7)[nH]c6-c6ccccc6)cc5c4c3)c(-c3ccccc3)[nH]2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.67
KMT2A Q03164 5/20 0.67
ALDH1A1 P00352 4/20 0.67
HPGD P15428 4/20 0.67
GLA P06280 3/20 0.67
GAA P10253 3/20 0.67
MEN1 O00255 3/20 0.65
MAPT P10636 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C19 P33261 1/20 0.61
GFER P55789 1/20 0.61
MAPK14 Q16539 5/20 0.59
CSNK1D P48730 2/20 0.59
CSNK1E P49674 2/20 0.59
TGFBR1 P36897 3/20 0.53
MAPK13 O15264 3/20 0.53
MAPK12 P53778 3/20 0.53
MAPK11 Q15759 3/20 0.53
ALOX5 P09917 1/20 0.53
PTPN1 P18031 1/20 0.53

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
SCHEMBL15050028 1.00 KDM4E (0.67) KDM4EKMT2AALDH1A1HPGDGLA
SCHEMBL2594783 0.92 KDM4E (0.63) KDM4EKMT2AALDH1A1HPGDGLA
SCHEMBL12180841 0.88 RAF1 (0.68) KDM4EKMT2AALDH1A1HPGDGLA
SCHEMBL2593317 0.85 KDM4E (0.91) KDM4EKMT2AALDH1A1HPGDGLA
SCHEMBL15071001 0.84 MAPK14 (0.63) KDM4EKMT2AALDH1A1HPGDGLA
SCHEMBL29103864 0.80 KDM4E (0.83) KDM4EKMT2AALDH1A1HPGDGLA
SCHEMBL29642733 0.79 KDM4E (1.00) KDM4EKMT2AALDH1A1HPGDGLA
SCHEMBL16497610 0.79 MAPK14 (0.81) KDM4EKMT2AALDH1A1HPGDGLA
SCHEMBL12561695 0.79 KDM4E (0.80) KDM4EKMT2AALDH1A1HPGDGLA
SCHEMBL12561724 0.78 KDM4E (0.70) KDM4EKMT2AALDH1A1HPGDGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165489-A1 Small Molecule Modulators of HIV-1 Capsid Stability and Methods Thereof THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-06-27 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 (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-20130165489-A1 Small Molecule Modulators of HIV-1 Capsid Stability and Methods Thereof ZC3HAV1, MAVS, HAVCR2 KDM4E 1542/4885KMT2A 3224/4885ALDH1A1 3672/4885

“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.