SCHEMBL17050463

SCHEMBL17050463

COc1ccc(Cl)c(Oc2ccc(Br)cn2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
POLB P06746 2/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
BRCA1 P38398 1/20 0.40
HBB P68871 1/20 0.40
HSD17B10 Q99714 1/20 0.40
EDNRB P24530 2/20 0.40
EDNRA P25101 2/20 0.40
RAB9A P51151 3/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
SCN9A Q15858 1/20 0.38
HTR2A P28223 3/20 0.37
SLC6A4 P31645 3/20 0.37
KCNH2 Q12809 3/20 0.37
THRB P10828 1/20 0.37
NPBWR1 P48145 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
SCHEMBL17050452 0.89 MAPK8 (0.43) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL16838789 0.78 RAB9A (0.47) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL29693773 0.78 RAB9A (0.47) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL2974010 0.77 HAO1 (0.51) KDM4EPOLBKMT2AMEN1HTR2A
SCHEMBL17050465 0.77 KMT2A (0.46) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL17050459 0.76 KDM4E (0.68) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL29479486 0.75 KMT2A (0.60) POLBKMT2AMEN1ALDH1A1HTT
SCHEMBL30700673 0.75 KMT2A (0.60) POLBKMT2AMEN1ALDH1A1HTT
SCHEMBL28714581 0.75 KMT2A (0.60) POLBKMT2AMEN1ALDH1A1HTT
SCHEMBL17050453 0.75 ACACB (0.53) KDM4EPOLBKMT2AMEN1ALDH1A1

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 KDM4E 2675/4885POLB 1992/4885KMT2A 2738/4885

“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.