SCHEMBL6011391

SCHEMBL6011391

COc1ccc(C)cc1-c1ccc(N)cc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
CYP3A4 P08684 1/20 0.56
ACHE P22303 1/20 0.47
KDM4E B2RXH2 5/20 0.45
MAPT P10636 5/20 0.45
LMNA P02545 2/20 0.45
NR4A1 P22736 1/20 0.44
USP2 O75604 2/20 0.42
GAA P10253 3/20 0.41
HTT P42858 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 2/20 0.39
IMPDH2 P12268 1/20 0.39
IMPDH1 P20839 1/20 0.39
MDM2 Q00987 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL6011487 0.89 ALDH1A1 (0.47) ALDH1A1CYP3A4KDM4EMAPTLMNA
SCHEMBL6011401 0.88 ALDH1A1 (0.53) ALDH1A1CYP3A4ACHEKDM4EMAPT
SCHEMBL1724285 0.83 ALDH1A1 (0.52) ALDH1A1CYP3A4ACHEKDM4EMAPT
SCHEMBL6011173 0.83 ALDH1A1 (0.55) ALDH1A1CYP3A4KDM4EMAPTUSP2
SCHEMBL6011278 0.81 WEE1 (0.47) ALDH1A1CYP3A4KDM4EMAPTLMNA
SCHEMBL6011538 0.81 CYP3A4 (0.54) ALDH1A1CYP3A4ACHEKDM4EMAPT
SCHEMBL6573395 0.80 ALDH1A1 (0.49) ALDH1A1CYP3A4ACHEKDM4EMAPT
SCHEMBL6011530 0.80 MAPT (0.52) ALDH1A1CYP3A4KDM4EMAPTLMNA
SCHEMBL6011294 0.80 SMN1; SMN2 (0.48) ALDH1A1CYP3A4ACHEKDM4EMAPT
SCHEMBL27185972 0.79 ALDH1A1 (0.55) ALDH1A1CYP3A4KDM4EMAPTLMNA

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-1355619-B1 COLOURING AGENTS FOR KERATIN FIBRES CONTAINING (1.1'-BIPHENYL)-2.4-DIAMINE DERIVATIVES IN ADDITION TO NOVEL (1.1'-BIPHENYL)-2.4-DIAMINE-DERIVATIVES WELLA AG (DE) 2006-12-06 EP claimed
EP-1355619-B1 COLOURING AGENTS FOR KERATIN FIBRES CONTAINING (1.1'-BIPHENYL)-2.4-DIAMINE DERIVATIVES IN ADDITION TO NOVEL (1.1'-BIPHENYL)-2.4-DIAMINE-DERIVATIVES WELLA AG (DE) 2006-12-06 EP disclosed
US-7056347-B2 Coloring agents for keratin fibers containing (1,1′-biphenyl)-2,4-diamine derivatives in addition to novel (1,1′-biphenyl)-2,4-diamine-derivatives WELLA AG (DE) 2006-06-06 US disclosed
US-20030172470-A1 Colouring agents for keratin fibres containing (1.1'-biphenyl)-2.4-diamine derivatives in addition to novel (1.1'-biphenyl)-2.4-diamine-derivatives HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-09-18 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 (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-20030172470-A1 Colouring agents for keratin fibres containing (1.1'-biphenyl)-2.4-diamine derivatives in addition to novel (1.1'-biphenyl)-2.4-diamine-derivatives KRT18, DSP, DSG1 ALDH1A1 120/4885CYP3A4 3726/4885ACHE 1971/4885

“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.