SCHEMBL13639123

SCHEMBL13639123

COOCc1cccc(Oc2ccc(N)cn2)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.64
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
ALDH1A1 P00352 1/20 0.64
BRCA1 P38398 1/20 0.64
HBB P68871 1/20 0.64
HSD17B10 Q99714 1/20 0.64
POLB P06746 2/20 0.48
RAB9A P51151 1/20 0.48
KEAP1 Q14145 1/20 0.44
IDO1 P14902 2/20 0.40
AGXT P21549 2/20 0.40
MAPK1 P28482 1/20 0.40
MAOB P27338 4/20 0.39
DHFR P00374 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37

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
SCHEMBL15534280 0.81 KDM4E (0.63) KDM4EMEN1KMT2AALDH1A1BRCA1
SCHEMBL13981842 0.81 ALDH1A1 (0.41) KDM4EMEN1KMT2AALDH1A1BRCA1
SCHEMBL13639122 0.79 L3MBTL1 (0.50) MEN1KMT2AALDH1A1POLBMAPK1
SCHEMBL7802245 0.78 KDM4E (0.59) KDM4EMEN1KMT2AALDH1A1BRCA1
SCHEMBL20931739 0.77 KDM4E (0.73) KDM4EMEN1KMT2AALDH1A1BRCA1
SCHEMBL6506490 0.73 KDM4E (0.68) KDM4EMEN1KMT2AALDH1A1BRCA1
SCHEMBL30354852 0.73 KDM4E (0.68) KDM4EMEN1KMT2AALDH1A1BRCA1
SCHEMBL14782127 0.73 KDM4E (0.68) KDM4EMEN1KMT2AALDH1A1BRCA1
SCHEMBL26227149 0.73 KDM4E (0.68) KDM4EMEN1KMT2AALDH1A1BRCA1
SCHEMBL1979734 0.72 KDM4E (0.67) KDM4EMEN1KMT2AALDH1A1BRCA1

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-8304557-B2 Fused heterocycle derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-06 US disclosed
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 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-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF NOX3, NOX5, ZYX KDM4E 2148/4885MEN1 604/4885KMT2A 1404/4885

“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.