SCHEMBL6011409

SCHEMBL6011409

COc1cc(C)cc(-c2ccc(N)cc2N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
MAPK1 P28482 1/20 0.39
CYP3A4 P08684 5/20 0.39
ABL1 P00519 2/20 0.39
ABCB1 P08183 2/20 0.39
BCR P11274 2/20 0.39
CASP1 P29466 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
CYP19A1 P11511 2/20 0.38
NQO2 P16083 1/20 0.38
ACHE P22303 1/20 0.36
MAOB P27338 1/20 0.35
KIT P10721 1/20 0.35
CYP1A1 P04798 2/20 0.35
CYP1A2 P05177 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
SCHEMBL6011385 0.90 ABL1 (0.47) ALDH1A1SMN1; SMN2TDP1MAPK1CYP3A4
SCHEMBL6011481 0.86 CYP3A4 (0.46) ALDH1A1SMN1; SMN2TDP1MAPK1CYP3A4
SCHEMBL6011414 0.86 CASP1 (0.50) ALDH1A1SMN1; SMN2CNR1CNR2TDP1
SCHEMBL6011355 0.82 ABL1 (0.45) ALDH1A1SMN1; SMN2TDP1MAPK1CYP3A4
SCHEMBL6573408 0.81 PDE10A (0.46) ALDH1A1SMN1; SMN2CNR1CNR2TDP1
SCHEMBL7119998 0.81 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2TDP1MAPK1CYP3A4
SCHEMBL6011277 0.80 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2CNR1CNR2TDP1
SCHEMBL6011274 0.79 TDP1 (0.56) ALDH1A1SMN1; SMN2TDP1MAPK1CYP3A4
SCHEMBL6011438 0.78 CYP3A4 (0.58) ALDH1A1SMN1; SMN2CYP3A4MAPTCYP19A1
SCHEMBL27935580 0.77 ABL1 (0.48) ALDH1A1SMN1; SMN2TDP1MAPK1CYP3A4

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 6 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
EP-1355619-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 Wella Aktiengesellschaft (DE) 2003-10-29 EP 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
WO-2002062307-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 WELLA AKTIENGESELLSCHAFT (DE) 2002-08-15 WO 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 120/4885SMN1; SMN2 2205/4885CNR1 4285/4885

“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.