SCHEMBL16769474

SCHEMBL16769474

CC(=O)c1ccc(CBr)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.44
CYP2A6 P11509 1/20 0.43
MAOB P27338 2/20 0.42
HSD17B1 P14061 2/20 0.42
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HIF1A Q16665 1/20 0.40
MAPK1 P28482 1/20 0.40
STAT3 P40763 1/20 0.40
STAT1 P42224 1/20 0.40

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
SCHEMBL6135979 0.85 EPHX2 (0.51) KMT2APOLBSMN1; SMN2MAPTL3MBTL1
SCHEMBL11811640 0.84 HSD17B1 (0.53) PKMKMT2APOLBCYP2A6MAOB
SCHEMBL1909365 0.82 PKM (0.61) PKMKMT2APOLBCYP2A6MAOB
SCHEMBL12905120 0.81 PKM (0.46) PKMKMT2APOLBCYP2A6HSD17B1
SCHEMBL3362822 0.81 PKM (0.46) PKMKMT2APOLBCYP2A6MAOB
SCHEMBL9479617 0.80 CA1 (0.49) KMT2ASMN1; SMN2HTTMAPTHPGD
SCHEMBL3679193 0.80 EPHX2 (0.41) SMN1; SMN2HTTHPGDLMNAL3MBTL1
SCHEMBL16769472 0.79 PRKCI (0.46) PKMKMT2APOLBCYP2A6MAOB
SCHEMBL14368281 0.79 NR1H4 (0.55) PKMKMT2APOLBCYP2A6MAOB
SCHEMBL15492066 0.79 PKM (0.44) PKMKMT2APOLBMAOBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152047-A1 BENZAMIDE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-06-04 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-20150152047-A1 BENZAMIDE DERIVATIVE CYP3A5, HDAC6, BRD1 PKM 1385/4885KMT2A 1071/4885POLB 3731/4885

“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.