Sugi Predict

Sugi Predict / Compounds / SCHEMBL22102730

SCHEMBL22102730

SCHEMBL22102730

CCOc1ccc(Nc2cc(Nc3ccc(NCCCn4cc[n+](C)c4)cc3)c(N)cc2N)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 4/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ QPCT Q16769 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ APAF1 O14727 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ PLA2G1B P04054 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ATG4B Q9Y4P1 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ EHMT2 Q96KQ7 1/20 0.33

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
SCHEMBL22701337 0.94 GAA (0.35) MAPKAPK2KMT2ASMN1; SMN2QPCTGAA
SCHEMBL20288337 0.91 MEN1 (0.39) KMT2ASMN1; SMN2MAPTHTTMEN1
SCHEMBL20267791 0.88 MAPT (0.36) KMT2ASMN1; SMN2MAPTHTTMEN1
SCHEMBL20268996 0.88 MEN1 (0.40) KMT2ASMN1; SMN2QPCTMAPTHTT
SCHEMBL22102729 0.87 MAPT (0.36) KMT2ASMN1; SMN2QPCTGAAMAPT
SCHEMBL20267798 0.86 MEN1 (0.35) KMT2ASMN1; SMN2GAAMAPTHTT
SCHEMBL20280485 0.84 MEN1 (0.35) KMT2ASMN1; SMN2MAPTHTTMEN1
SCHEMBL20280488 0.82 MEN1 (0.34) KMT2ASMN1; SMN2MAPTHTTMEN1
SCHEMBL22699842 0.80 MEN1 (0.31) KMT2ASMN1; SMN2MAPTHTTMEN1
SCHEMBL22701347 0.80 MEN1 (0.32) KMT2ASMN1; SMN2GAAMAPTHTT

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
EP-3554466-B1 DISSYMMETRIC AZOMETHINE DIRECT DYES AND PROCESS FOR THEIR PREPARATION, COSMETIC COMPOSITION COMPRISING AT LEAST ONE SUCH DYE AND USE THEREOF OREAL (FR) 2020-11-25 — — EP claimed
US-10927259-B2 Dissymmetric azomethine direct dyes and process for their preparation, cosmetic composition comprising at least one such dye and use thereof L'OREAL (FR) 2021-02-23 — — US disclosed
EP-3554466-B1 DISSYMMETRIC AZOMETHINE DIRECT DYES AND PROCESS FOR THEIR PREPARATION, COSMETIC COMPOSITION COMPRISING AT LEAST ONE SUCH DYE AND USE THEREOF OREAL (FR) 2020-11-25 — — EP disclosed
US-20200190329-A1 DISSYMMETRIC AZOMETHINE DIRECT DYES AND PROCESS FOR THEIR PREPARATION, COSMETIC COMPOSITION COMPRISING AT LEAST ONE SUCH DYE AND USE THEREOF L'OREAL (FR) 2020-06-18 — — 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 (2 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-10927259-B2 Dissymmetric azomethine direct dyes and process for their preparation, cosmetic composition comprising at least one such dye and use thereof KRT18, DSG1, IK MAPKAPK2 2166/4885KMT2A 1199/4885SMN1; SMN2 4622/4885
US-20200190329-A1 DISSYMMETRIC AZOMETHINE DIRECT DYES AND PROCESS FOR THEIR PREPARATION, COSMETIC COMPOSITION COMPRISING AT LEAST ONE SUCH DYE AND USE THEREOF KRT18, DSG1, IK MAPKAPK2 2166/4885KMT2A 1199/4885SMN1; SMN2 4622/4885

“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.