SCHEMBL16355131

SCHEMBL16355131

N=Cc1ccc(N=N)cc1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA7 P43166 1/20 0.30
▸ CA9 Q16790 1/20 0.30

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
SCHEMBL16365549 0.77 MAOB (0.54) KDM4EMEN1ALDH1A1TP53MAPT
SCHEMBL21994058 0.76 ALDH1A1 (0.41) KDM4EMEN1ALDH1A1TP53MAPT
SCHEMBL12632557 0.76 CYP2A6 (0.46) KDM4EALDH1A1HSD17B10
SCHEMBL12534737 0.76 ALDH1A1 (0.58) MEN1ALDH1A1TP53KMT2ATDP1
SCHEMBL7960648 0.72 ALDH1A1 (0.57) KDM4EMEN1ALDH1A1MAPTMAPK1
SCHEMBL13080877 0.72 MAOB (0.50) MEN1KMT2A
SCHEMBL13351563 0.71 ALDH1A1 (0.62) KDM4EMEN1ALDH1A1TP53MAPT
SCHEMBL19714967 0.70 CA1 (0.44) TP53CA1CA2CA7CA9
SCHEMBL15235239 0.67 NOX1 (0.35) KDM4EMEN1ALDH1A1MAPTMAPK1
SCHEMBL17454561 0.65 ALDH1A1 (0.60) KDM4EMEN1ALDH1A1TP53MAPT

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-20140378668-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions SCRIPPS RESEARCH INST (US) 2014-12-25 — — 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-20140378668-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions TYR, DNPEP, TH KDM4E 225/4885MEN1 3134/4885ALDH1A1 4268/4885

“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.

Send feedback