SCHEMBL22102764

SCHEMBL22102764

Nc1cc(N)c(Nc2ccc(S(=O)(=O)O)cc2)cc1Nc1ccc(N(CCO)CCO)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.38
ALDH1A1 P00352 7/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 3/20 0.36
MAPT P10636 3/20 0.36
RECQL P46063 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
THRB P10828 1/20 0.36
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
TSHR P16473 2/20 0.36
PRKCA P17252 1/20 0.35
SNCA P37840 2/20 0.35
POLB P06746 2/20 0.35
CASP6 P55212 2/20 0.35
L3MBTL1 Q9Y468 2/20 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
SCHEMBL20288318 0.88 ALDH1A1 (0.37) ALDH1A1KDM4EGAAMAPTRECQL
SCHEMBL22683201 0.84 RAPGEF4 (0.50) RAPGEF4ALDH1A1KDM4EGAAMAPT
SCHEMBL20285590 0.83 MAPT (0.43) ALDH1A1KDM4EGAAMAPTRECQL
SCHEMBL20285756 0.83 MAPT (0.42) ALDH1A1KDM4EGAAMAPTRECQL
SCHEMBL22102772 0.80 ALDH1A1 (0.58) RAPGEF4ALDH1A1KDM4EGAAMAPT
SCHEMBL11137419 0.79 LMNA (0.45) ALDH1A1KDM4EGAAMAPTRECQL
SCHEMBL20285744 0.78 CYP3A4 (0.42) RAPGEF4ALDH1A1KDM4EGAAMAPT
SCHEMBL10413734 0.77 ALDH1A1 (0.55) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL20285853 0.77 CTDSP1 (0.44) ALDH1A1KDM4EGAAMAPTMEN1
SCHEMBL22701380 0.75 BACE1 (0.35) ALDH1A1KDM4EGAAMAPTRECQL

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 5 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
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 RAPGEF4 4870/4885ALDH1A1 754/4885KDM4E 795/4885
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 RAPGEF4 4870/4885ALDH1A1 754/4885KDM4E 795/4885

“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.