SCHEMBL17253354

SCHEMBL17253354

CCCNC1=CC(=O)C(Nc2ccc(N(CC)C(C)C)cc2)=C/C1=N/c1ccc(N(CC)C(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 4/20 0.35
▸ MITF O75030 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ ALDH1A1 P00352 9/20 0.33
▸ MAPT P10636 7/20 0.33
▸ L3MBTL1 Q9Y468 5/20 0.33
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ HTT P42858 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ THRB P10828 1/20 0.33
▸ NR4A1 P22736 1/20 0.33
▸ SMAD3 P84022 1/20 0.33
▸ HKDC1 Q2TB90 1/20 0.33
▸ MCL1 Q07820 3/20 0.32
▸ CASP3 P42574 3/20 0.32
▸ SENP8 Q96LD8 3/20 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
SCHEMBL15039579 0.92 MAPT (0.34) APAF1MITFTDP1ALDH1A1MAPT
SCHEMBL15020098 0.92 MAPT (0.34) APAF1MITFTDP1ALDH1A1MAPT
SCHEMBL15020099 0.92 MAPT (0.34) APAF1MITFTDP1ALDH1A1MAPT
SCHEMBL15020129 0.91 ALDH1A1 (0.37) APAF1MITFTDP1ALDH1A1MAPT
SCHEMBL15020128 0.91 ALDH1A1 (0.37) APAF1MITFTDP1ALDH1A1MAPT
SCHEMBL17253269 0.91 ALDH1A1 (0.37) APAF1MITFTDP1ALDH1A1MAPT
SCHEMBL17253298 0.88 ALDH1A1 (0.35) APAF1MITFTDP1ALDH1A1MAPT
SCHEMBL15020117 0.88 ALDH1A1 (0.35) APAF1MITFTDP1ALDH1A1MAPT
SCHEMBL15020118 0.88 ALDH1A1 (0.35) APAF1MITFTDP1ALDH1A1MAPT
SCHEMBL15019814 0.87 APAF1 (0.39) APAF1MITFTDP1ALDH1A1MAPT

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-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

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 APAF1 3032/4885MITF 1068/4885TDP1 1636/4885

“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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