SCHEMBL17050465

SCHEMBL17050465

COc1cc(Cl)cc(Oc2ccc(Br)cn2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
BRCA1 P38398 1/20 0.46
HBB P68871 1/20 0.46
HSD17B10 Q99714 1/20 0.46
THRB P10828 1/20 0.39
POLB P06746 1/20 0.38
RAB9A P51151 3/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.35
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
NPBWR1 P48145 1/20 0.33
PPP1CA P62136 1/20 0.33

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
SCHEMBL17050459 0.81 KDM4E (0.68) KMT2AMEN1KDM4EALDH1A1BRCA1
SCHEMBL17050462 0.81 KDM4E (0.48) KMT2AMEN1KDM4EALDH1A1BRCA1
SCHEMBL29693773 0.80 RAB9A (0.47) KMT2AMEN1KDM4EALDH1A1BRCA1
SCHEMBL16838789 0.80 RAB9A (0.47) KMT2AMEN1KDM4EALDH1A1BRCA1
SCHEMBL25294746 0.78 CYP1A2 (0.54) KMT2AMEN1KDM4EALDH1A1BRCA1
SCHEMBL29479474 0.78 CYP1A2 (0.54) KMT2AMEN1KDM4EALDH1A1BRCA1
SCHEMBL3584036 0.77 L3MBTL1 (0.47) KMT2AMEN1KDM4EALDH1A1THRB
SCHEMBL17050463 0.77 KDM4E (0.42) KMT2AMEN1KDM4EALDH1A1BRCA1
SCHEMBL17050452 0.77 MAPK8 (0.43) KMT2AMEN1KDM4EALDH1A1BRCA1
SCHEMBL16838784 0.74 HAO1 (0.47) KMT2AMEN1KDM4EALDH1A1BRCA1

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-20150246938-A1 NOVEL OLEFIN DERIVATIVE SHIONOGI & CO., LTD. (JP) 2015-09-03 US disclosed
US-20150246938-A1 NOVEL OLEFIN DERIVATIVE SHIONOGI & CO., LTD. (JP) 2015-09-03 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-20150246938-A1 NOVEL OLEFIN DERIVATIVE ACSS2, ACACB, ACAT2 KMT2A 2738/4885MEN1 3985/4885KDM4E 2675/4885

“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.