SCHEMBL22102771

SCHEMBL22102771

Nc1ccc(Nc2cc(Nc3cccc(O)c3)c(N)cc2N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.53
TSHR P16473 1/20 0.53
BRAF P15056 5/20 0.49
MAPT P10636 5/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALOX15 P16050 2/20 0.47
TP53 P04637 1/20 0.47
APP P05067 1/20 0.47
SNCA P37840 1/20 0.47
BLM P54132 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HDAC6 Q9UBN7 1/20 0.45
ALDH1A1 P00352 4/20 0.44
HTT P42858 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX12 P18054 1/20 0.44

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
SCHEMBL20269250 0.92 CYP3A4 (0.57) CYP3A4TSHRBRAFMAPTALOX15
SCHEMBL11475061 0.86 CYP3A4 (0.70) CYP3A4TSHRBRAFMAPTKDM4E
SCHEMBL20285584 0.84 MAPT (0.51) CYP3A4MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL17506814 0.83 CYP3A4 (0.52) CYP3A4TSHRBRAFMAPTKDM4E
SCHEMBL22102775 0.83 MAPT (0.65) CYP3A4TSHRMAPTKDM4EHPGD
SCHEMBL20268581 0.82 MAPT (0.59) CYP3A4MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL20285744 0.80 CYP3A4 (0.42) CYP3A4TSHRBRAFMAPTKDM4E
SCHEMBL17506813 0.80 CYP3A4 (0.55) CYP3A4TSHRBRAFMAPTKDM4E
SCHEMBL20268378 0.79 MAPT (0.56) CYP3A4MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL17527023 0.77 RAPGEF4 (0.54) CYP3A4TSHRBRAFMAPTALOX15

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 CYP3A4 1251/4885TSHR 2280/4885BRAF 600/4885
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 CYP3A4 1251/4885TSHR 2280/4885BRAF 600/4885

“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.