SCHEMBL22102772

SCHEMBL22102772

Nc1ccc(Nc2cc(Nc3ccc(S(=O)(=O)O)cc3)c(N)cc2N)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
NT5E P21589 2/20 0.58
TSHR P16473 2/20 0.58
RAPGEF4 Q8WZA2 1/20 0.58
MAPT P10636 4/20 0.49
KDM4E B2RXH2 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
CASP6 P55212 3/20 0.49
POLB P06746 2/20 0.49
GAA P10253 2/20 0.49
RECQL P46063 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ELAVL1 Q15717 1/20 0.49
NSD2 O96028 1/20 0.48
APEX1 P27695 1/20 0.48
APOBEC3A P31941 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
GNG2 P59768 1/20 0.46

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
SCHEMBL22683201 0.95 RAPGEF4 (0.50) ALDH1A1NT5ETSHRRAPGEF4MAPT
SCHEMBL22701348 0.89 RAPGEF4 (0.50) ALDH1A1NT5ETSHRRAPGEF4MAPT
SCHEMBL10720084 0.87 RAPGEF4 (0.62) ALDH1A1NT5ETSHRRAPGEF4MAPT
SCHEMBL11335315 0.87 RAPGEF4 (0.62) ALDH1A1NT5ETSHRRAPGEF4MAPT
SCHEMBL6051237 0.84 ALDH1A1 (0.75) ALDH1A1NT5ETSHRRAPGEF4MAPT
SCHEMBL20268581 0.82 MAPT (0.59) ALDH1A1RAPGEF4MAPTKDM4ETDP1
SCHEMBL22102764 0.80 RAPGEF4 (0.38) ALDH1A1NT5ETSHRRAPGEF4MAPT
SCHEMBL27658915 0.78 GAA (0.57) ALDH1A1NT5ETSHRRAPGEF4MAPT
SCHEMBL20285584 0.78 MAPT (0.51) ALDH1A1RAPGEF4MAPTKDM4ETDP1
SCHEMBL17715464 0.77 TSHR (0.75) ALDH1A1NT5ETSHRRAPGEF4TDP1

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 ALDH1A1 754/4885NT5E 1645/4885TSHR 2280/4885
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 ALDH1A1 754/4885NT5E 1645/4885TSHR 2280/4885

“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.