SCHEMBL10288042

SCHEMBL10288042

CCO/C=C/C(=O)Nc1ccc(N=O)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ HTT P42858 2/20 0.43
▸ TRPV1 Q8NER1 3/20 0.42
▸ MAPT P10636 6/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ LMNA P02545 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HPGD P15428 3/20 0.40
▸ TP53 P04637 3/20 0.40
▸ GAA P10253 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ BCHE P06276 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL16906037 0.82 GRM4 (0.48) ALDH1A1HTTTRPV1MAPTMEN1
SCHEMBL23842642 0.82 GRM4 (0.48) ALDH1A1HTTTRPV1MEN1KMT2A
SCHEMBL27030120 0.80 ALDH1A1 (0.48) ALDH1A1HTTTRPV1MAPTMEN1
SCHEMBL30355109 0.80 ALDH1A1 (0.48) ALDH1A1HTTTRPV1MAPTMEN1
SCHEMBL358951 0.79 ALDH1A1 (0.53) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL358952 0.79 ALDH1A1 (0.53) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL16897778 0.76 ALDH1A1 (0.40) ALDH1A1HTTTRPV1MAPTMEN1
SCHEMBL20373733 0.76 ALDH1A1 (0.42) ALDH1A1HTTTRPV1MAPTMEN1
SCHEMBL16897779 0.76 ALDH1A1 (0.40) ALDH1A1HTTTRPV1MAPTMEN1
SCHEMBL10288515 0.76 ALDH1A1 (0.54) ALDH1A1HTTMAPTMEN1KMT2A

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-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 — — 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-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 ALDH1A1 2519/4885HTT 3990/4885TRPV1 3768/4885

“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.

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