SCHEMBL31370710

SCHEMBL31370710

C=CCOC(=O)Nc1ccccc1Br

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
CYP3A4 P08684 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 2/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 1/20 0.45
RAB9A P51151 3/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 2/20 0.45
NPC1 O15118 2/20 0.45
EGFR P00533 1/20 0.44
L3MBTL1 Q9Y468 5/20 0.44
TDP1 Q9NUW8 3/20 0.44
TSHR P16473 1/20 0.42
CASP1 P29466 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
SCHEMBL5972595 0.83 KMT2A (0.56) KMT2AMEN1CYP3A4ALDH1A1MAPK1
SCHEMBL11133357 0.80 KMT2A (0.54) KMT2AMEN1CYP3A4ALDH1A1MAPK1
SCHEMBL29816603 0.80 CYP3A4 (0.54) KMT2AMEN1CYP3A4ALDH1A1HSD17B10
SCHEMBL9271743 0.79 ALDH1A1 (0.67) KMT2AMEN1CYP3A4ALDH1A1MAPK1
SCHEMBL1188292 0.79 ALDH1A1 (0.62) KMT2AMEN1ALDH1A1MAPK1HSD17B10
SCHEMBL11852070 0.78 NLRP3 (0.60) KMT2AMEN1CYP3A4ALDH1A1KDM4E
SCHEMBL160077 0.77 NPC1 (0.54) KMT2AMEN1CYP3A4MAPK1HSD17B10
SCHEMBL9493549 0.77 ALDH1A1 (0.54) KMT2AMEN1CYP3A4ALDH1A1MAPK1
SCHEMBL11552687 0.77 L3MBTL1 (0.54) KMT2AMEN1CYP3A4ALDH1A1MAPK1
SCHEMBL16589882 0.77 KMT2A (0.50) KMT2AMEN1CYP3A4ALDH1A1MAPK1

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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 KMT2A 3415/4885MEN1 4354/4885CYP3A4 3633/4885

“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.