SCHEMBL15020197

SCHEMBL15020197

CCN(c1ccc(N=C2C=C(Nc3ccc(N(CC)C(C)C)cc3)C(=O)C=C2N(C)C)cc1)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.34
▸ MAPT P10636 9/20 0.34
▸ L3MBTL1 Q9Y468 6/20 0.34
▸ HTT P42858 5/20 0.34
▸ TDP1 Q9NUW8 4/20 0.34
▸ LMNA P02545 3/20 0.34
▸ APAF1 O14727 2/20 0.34
▸ MITF O75030 2/20 0.34
▸ HPGD P15428 5/20 0.34
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ DNM1 Q05193 1/20 0.33
▸ PABPC1 P11940 1/20 0.33
▸ SMN1; SMN2 Q16637 4/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ THRB P10828 2/20 0.32
▸ NR4A1 P22736 1/20 0.32
▸ SMAD3 P84022 1/20 0.32
▸ HKDC1 Q2TB90 1/20 0.32
▸ P2RX3 P56373 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
SCHEMBL15020195 1.00 ALDH1A1 (0.34) ALDH1A1MAPTL3MBTL1HTTTDP1
SCHEMBL15039675 1.00 ALDH1A1 (0.34) ALDH1A1MAPTL3MBTL1HTTTDP1
SCHEMBL17249641 0.92 ALDH1A1 (0.31) ALDH1A1MAPTL3MBTL1HTTTDP1
SCHEMBL17253269 0.91 ALDH1A1 (0.37) ALDH1A1MAPTL3MBTL1HTTTDP1
SCHEMBL15020128 0.91 ALDH1A1 (0.37) ALDH1A1MAPTL3MBTL1HTTTDP1
SCHEMBL15020129 0.91 ALDH1A1 (0.37) ALDH1A1MAPTL3MBTL1HTTTDP1
SCHEMBL15020117 0.88 ALDH1A1 (0.35) ALDH1A1MAPTL3MBTL1HTTTDP1
SCHEMBL17253298 0.88 ALDH1A1 (0.35) ALDH1A1MAPTL3MBTL1HTTTDP1
SCHEMBL15020118 0.88 ALDH1A1 (0.35) ALDH1A1MAPTL3MBTL1HTTTDP1
SCHEMBL15019813 0.87 APAF1 (0.39) ALDH1A1MAPTL3MBTL1HTTTDP1

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-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
EP-2791252-A1 TRIAROMATIC AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, METHOD OF IMPLEMENTATION AND USE L'OREAL (FR) 2014-10-22 — — EP 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 ALDH1A1 235/4885MAPT 469/4885L3MBTL1 4870/4885

“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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