SCHEMBL15039789

SCHEMBL15039789

Nc1ccc(NC2=C/C(=N/c3ccc(O)c(Cl)c3)C(NCCO)=CC2=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 1/20 0.35
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA5A P35218 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ CA5B Q9Y2D0 1/20 0.32
▸ FCGR3B O75015 1/20 0.31
▸ FCGR1A P12314 1/20 0.31
▸ FCGR2A P12318 1/20 0.31

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
SCHEMBL15019811 0.88 DNM1 (0.40) DNM1CA1CA2CA12CA5A
SCHEMBL15039541 0.88 DNM1 (0.40) DNM1CA1CA2CA12CA5A
SCHEMBL15020067 0.81 DNM1 (0.42) DNM1PTGS1PTGS2
SCHEMBL15039580 0.81 DNM1 (0.42) DNM1PTGS1PTGS2
SCHEMBL15020065 0.81 DNM1 (0.42) DNM1PTGS1PTGS2
SCHEMBL15039543 0.78 DNM1 (0.40) DNM1PTGS1PTGS2
SCHEMBL11311903 0.78 PTGS1 (0.34) PTGS1PTGS2CA1CA2
SCHEMBL15039793 0.77 DNM1 (0.40) DNM1PTGS1PTGS2
SCHEMBL15039790 0.77 DNM1 (0.49) DNM1PTGS1PTGS2
SCHEMBL15022915 0.77 DNM1 (0.50) DNM1CA1CA2CA12CA5A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9554977-B2 Triaromatic azomethine direct dyes, dye composition comprising at least one such dye, method of implementation and use L'OREAL (FR) 2017-01-31 — — US disclosed
US-9554977-B2 Triaromatic azomethine direct dyes, dye composition comprising at least one such dye, method of implementation and use L'OREAL (FR) 2017-01-31 — — US disclosed
US-20150320660-A1 TRIAROMATIC AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, METHOD OF IMPLEMENTATION AND USE L'OREAL (FR) 2015-11-12 — — US disclosed
WO-2013087768-A1 TRIAROMATIC AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, METHOD OF IMPLEMENTATION AND USE L'OREAL (FR) 2013-06-20 — — WO 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-20150320660-A1 TRIAROMATIC AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, METHOD OF IMPLEMENTATION AND USE KRT18, MKI67, CDC73 DNM1 2808/4885PTGS1 2413/4885PTGS2 3236/4885

“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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