SCHEMBL15039546

SCHEMBL15039546

Cc1ccccc1NC1=CC(=O)C(Nc2ccc(N)c(C)c2C)=C/C1=N/c1ccc(N)c(C)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 3/20 0.35
▸ BLM P54132 3/20 0.35
▸ APAF1 O14727 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TDP2 O95551 1/20 0.35
▸ NSD2 O96028 1/20 0.35
▸ PLA2G1B P04054 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ PLCG1 P19174 1/20 0.35
▸ GALK1 P51570 1/20 0.35
▸ HKDC1 Q2TB90 1/20 0.35
▸ ATG4B Q9Y4P1 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL15020318 1.00 HSP90AA1 (0.35) HSP90AA1BLMAPAF1NPC1MEN1
SCHEMBL15020316 1.00 HSP90AA1 (0.35) HSP90AA1BLMAPAF1NPC1MEN1
SCHEMBL15019875 0.92 — —
SCHEMBL15019874 0.92 — —
SCHEMBL15039671 0.92 — —
SCHEMBL15020175 0.89 IDO1 (0.34) HSP90AA1BLMAPAF1NPC1MEN1
SCHEMBL15039489 0.89 IDO1 (0.34) HSP90AA1BLMAPAF1NPC1MEN1
SCHEMBL15020174 0.89 IDO1 (0.34) HSP90AA1BLMAPAF1NPC1MEN1
SCHEMBL15019829 0.86 — —
SCHEMBL15019830 0.86 — —

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 HSP90AA1 2476/4885BLM 3275/4885APAF1 3032/4885

“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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