SCHEMBL21043036

SCHEMBL21043036

C/C=C(\C(=O)OCC)n1nccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.37
GLO1 Q04760 1/20 0.37
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
GAA P10253 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
ALDH1A1 P00352 6/20 0.35
PKM P14618 1/20 0.35
MAPT P10636 6/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MITF O75030 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HTT P42858 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
MAPK1 P28482 2/20 0.34

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
SCHEMBL16589233 0.83 CYP2C9 (0.45) NPSR1GLO1MEN1KMT2AGAA
SCHEMBL5795696 0.76 ALDH1A1 (0.42) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7975645 0.67 ALDH1A1 (0.40) NPSR1GLO1MEN1KMT2AGAA
SCHEMBL7262 0.64 ALDH1A1 (0.62) NPSR1GLO1MEN1KMT2AGAA
SCHEMBL9823358 0.64 ALDH1A1 (0.62) NPSR1GLO1MEN1KMT2AGAA
SCHEMBL1331989 0.64 ALDH1A1 (0.62) NPSR1GLO1MEN1KMT2AGAA
SCHEMBL13269051 0.64 NPSR1 (0.62) NPSR1GLO1MEN1KMT2AGAA
SCHEMBL1942274 0.64 NPSR1 (0.62) NPSR1GLO1MEN1KMT2AGAA
SCHEMBL315410 0.63 HSD17B10 (0.49) NPSR1MEN1KMT2AGAAMGAM
SCHEMBL5792153 0.63 ALDH1A1 (0.37) MEN1KMT2AGAAMGAMSI

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-10301289-B2 Method for the preparation of triazole compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-05-28 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-10301289-B2 Method for the preparation of triazole compounds CYP4B1, BRI3BP, BRD4 NPSR1 2468/4885GLO1 3843/4885MEN1 819/4885

“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.