SCHEMBL17050464

SCHEMBL17050464

COc1cccc(Oc2ccc(Br)cn2)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 1/20 0.43
ATM Q13315 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
GAA P10253 3/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
KEAP1 Q14145 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
BRCA1 P38398 1/20 0.36
HBB P68871 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
DHPS P49366 1/20 0.35

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
SCHEMBL30835340 0.86 KMT2A (0.48) SMN1; SMN2TSHRATMKEAP1KMT2A
SCHEMBL27083288 0.86 KMT2A (0.48) SMN1; SMN2TSHRATMKEAP1KMT2A
SCHEMBL29479486 0.78 KMT2A (0.60) GAAKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL30700673 0.78 KMT2A (0.60) GAAKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL28714581 0.78 KMT2A (0.60) GAAKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL28433389 0.76 KDM4E (0.53) SMN1; SMN2NPC1RAB9AGAAKMT2A
SCHEMBL18741435 0.76 ALDH1A1 (0.52) RAB9AGAAKMT2AMEN1ALDH1A1
SCHEMBL31498372 0.75 HSPB1 (0.43) SMN1; SMN2TSHRATMKMT2AMEN1
SCHEMBL17050452 0.74 MAPK8 (0.43) SMN1; SMN2RAB9AKMT2AMEN1ALDH1A1
SCHEMBL17050463 0.74 KDM4E (0.42) SMN1; SMN2NPC1RAB9AKMT2AMEN1

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 SMN1; SMN2 3481/4885TSHR 2129/4885ATM 1697/4885

“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.