SCHEMBL15039541

SCHEMBL15039541

Nc1ccc(/N=C2/C=C(Nc3ccc(N)cc3)C(=O)C=C2NCCO)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 1/20 0.40
▸ MAPT P10636 3/20 0.34
▸ BLM P54132 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ FCGR3B O75015 1/20 0.33
▸ FCGR1A P12314 1/20 0.33
▸ FCGR2A P12318 1/20 0.33
▸ APAF1 O14727 3/20 0.32
▸ TDP2 O95551 3/20 0.32
▸ L3MBTL1 Q9Y468 3/20 0.32
▸ CASP3 P42574 2/20 0.32
▸ SENP8 Q96LD8 2/20 0.32
▸ SENP7 Q9BQF6 2/20 0.32
▸ SENP6 Q9GZR1 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32

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 1.00 DNM1 (0.40) DNM1MAPTBLMTP53CYP3A4
SCHEMBL15039789 0.88 DNM1 (0.35) DNM1FCGR3BFCGR1AFCGR2ACA12
SCHEMBL15039674 0.86 DNM1 (0.46) DNM1MAPTBLMTP53CYP3A4
SCHEMBL15020149 0.86 DNM1 (0.46) DNM1MAPTBLMTP53CYP3A4
SCHEMBL15022915 0.86 DNM1 (0.50) DNM1MAPTBLMTP53CYP3A4
SCHEMBL15020148 0.86 DNM1 (0.46) DNM1MAPTBLMTP53CYP3A4
SCHEMBL4001397 0.82 TP53 (0.36) MAPTBLMTP53CYP3A4CASP1
SCHEMBL13808731 0.82 TP53 (0.36) MAPTBLMTP53CYP3A4CASP1
SCHEMBL4001393 0.82 TP53 (0.36) MAPTBLMTP53CYP3A4CASP1
SCHEMBL24443648 0.82 TP53 (0.35) MAPTBLMTP53CYP3A4CASP1

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 3 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-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 2808/4885MAPT 469/4885BLM 3275/4885

“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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