SCHEMBL464579

SCHEMBL464579

COC(=O)C(C)c1ccc(N=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.48
▸ MT-CO2 P00403 1/20 0.44
▸ PTGS2 P35354 2/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ KMT2A Q03164 3/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CXCR1 P25024 1/20 0.38
▸ CXCR2 P25025 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ PKM P14618 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL12062811 0.82 KMT2A (0.40) HPGDPTGS2PTGS1KMT2AALDH1A1
SCHEMBL12896284 0.80 HPGD (0.53) HPGDMT-CO2PTGS2PTGS1KMT2A
SCHEMBL11130803 0.80 HPGD (0.53) HPGDMT-CO2PTGS2PTGS1KMT2A
SCHEMBL24395306 0.80 KMT2A (0.39) HPGDKMT2AALDH1A1HSD17B10L3MBTL1
SCHEMBL3769313 0.80 HPGD (0.43) HPGDMT-CO2PTGS2PTGS1KMT2A
SCHEMBL1346074 0.79 ESR1 (0.56) HPGDMT-CO2PTGS2PTGS1KMT2A
SCHEMBL1747458 0.79 ESR1 (0.56) HPGDMT-CO2PTGS2PTGS1KMT2A
SCHEMBL12424105 0.79 HPGD (0.51) HPGDMT-CO2PTGS2PTGS1KMT2A
SCHEMBL464581 0.79 PTGS2 (0.57) HPGDPTGS2PTGS1ALDH1A1CXCR1
SCHEMBL1345145 0.79 ESR1 (0.56) HPGDMT-CO2PTGS2PTGS1KMT2A

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-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 — — 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-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO HPGD 125/4885MT-CO2 3899/4885PTGS2 347/4885

“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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