SCHEMBL4292232

SCHEMBL4292232

O=C(ONc1cccc2ccccc12)C(=O)ONc1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
GAA P10253 2/20 0.56
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
MAPT P10636 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
NPSR1 Q6W5P4 1/20 0.46
EPHX1 P07099 1/20 0.46
CA12 O43570 2/20 0.46
CA14 Q9ULX7 2/20 0.46
GSK3B P49841 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL6750341 0.85 KDM4E (0.53) KDM4EGAANPC1RAB9ACYP1A2
SCHEMBL6583532 0.85 KDM4E (0.62) KDM4EGAANPC1RAB9ACYP1A2
SCHEMBL28474261 0.75 KDM4E (0.51) KDM4EGAACYP1A2CYP2C19ALDH1A1
SCHEMBL569792 0.74 KDM4E (0.69) KDM4EGAANPC1RAB9ACYP1A2
SCHEMBL8913273 0.74 KEAP1 (0.51) KDM4EGAANPC1RAB9ACYP1A2
SCHEMBL28939376 0.74 CA12 (0.56) KDM4EGAANPC1RAB9ACYP1A2
SCHEMBL7915675 0.74 ALDH1A1 (0.60) KDM4EGAANPC1RAB9ACYP1A2
SCHEMBL11291466 0.74 NPC1 (0.79) KDM4EGAANPC1RAB9ACYP1A2
SCHEMBL30393282 0.74 KDM4E (0.82) KDM4EGAANPC1RAB9ACYP1A2
SCHEMBL1276481 0.74 KDM4E (0.82) KDM4EGAANPC1RAB9ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217001-B2 Modification of feeding behavior IMPERIAL INNOVATIONS LIMITED 2012-07-10 US disclosed
US-20090209461-A1 MODIFICATION OF FEEDING BEHAVIOR IMPERIAL COLLEGE INNOVATIONS LTD. (GB) 2009-08-20 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-20090209461-A1 MODIFICATION OF FEEDING BEHAVIOR NPY4R, NPY5R, NPY2R KDM4E 2037/4885GAA 2226/4885NPC1 4330/4885

“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.