SCHEMBL20710632

SCHEMBL20710632

CNc1ccc(NCCCO)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2B Q02880 1/20 0.62
▸ CYP19A1 P11511 1/20 0.57
▸ MEN1 O00255 5/20 0.56
▸ KMT2A Q03164 5/20 0.56
▸ BLM P54132 4/20 0.56
▸ POLB P06746 3/20 0.56
▸ NSD2 O96028 3/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.56
▸ MAPT P10636 5/20 0.54
▸ SMN1; SMN2 Q16637 5/20 0.54
▸ MAPK1 P28482 5/20 0.54
▸ LMNA P02545 5/20 0.54
▸ L3MBTL1 Q9Y468 4/20 0.54
▸ HTT P42858 4/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ EGFR P00533 3/20 0.54
▸ RECQL P46063 3/20 0.54
▸ NPSR1 Q6W5P4 3/20 0.54
▸ RAD52 P43351 1/20 0.54
▸ RAB9A P51151 4/20 0.52

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
SCHEMBL12658889 0.94 TOP2B (0.59) TOP2BCYP19A1MEN1KMT2ABLM
SCHEMBL375450 0.92 TOP2B (0.71) TOP2BCYP19A1MEN1KMT2ABLM
SCHEMBL15278008 0.92 TOP2B (0.72) TOP2BCYP19A1MEN1KMT2ABLM
SCHEMBL29670831 0.91 TOP2B (0.70) TOP2BCYP19A1MEN1KMT2ABLM
SCHEMBL23404 0.91 TOP2B (0.70) TOP2BCYP19A1MEN1KMT2ABLM
SCHEMBL29374910 0.91 TOP2B (0.70) TOP2BCYP19A1MEN1KMT2ABLM
SCHEMBL455300 0.89 TOP2B (0.72) TOP2BCYP19A1MEN1KMT2ABLM
SCHEMBL9883948 0.88 TOP2B (0.62) TOP2BCYP19A1MEN1KMT2ABLM
SCHEMBL15271588 0.87 TOP2B (0.73) TOP2BCYP19A1MEN1KMT2ABLM
SCHEMBL23787768 0.87 MEN1 (0.54) TOP2BCYP19A1MEN1KMT2ABLM

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-20190038534-A1 COMPOSITION FOR COLOURING HAIR BEAUTY & BUSINESS S.P.A. (IT) 2019-02-07 — — 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-20190038534-A1 COMPOSITION FOR COLOURING HAIR TYR, CUTA, COX5B TOP2B 759/4885CYP19A1 537/4885MEN1 2221/4885

“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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