SCHEMBL6011572

SCHEMBL6011572

CCc1ccc(-c2ccc(N)cc2N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.42
SMN1; SMN2 Q16637 7/20 0.40
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
ALDH1A1 P00352 5/20 0.40
MAPT P10636 5/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
KDM4E B2RXH2 4/20 0.40
TP53 P04637 4/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CASP1 P29466 2/20 0.39
IL6 P05231 1/20 0.37
STAT3 P40763 1/20 0.37
GAA P10253 2/20 0.37
HTT P42858 2/20 0.37

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
SCHEMBL10706133 0.86 TAAR1 (0.43) TAAR1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6570730 0.85 TAAR1 (0.42) TAAR1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL23292688 0.83 ALDH1A1 (0.43) TAAR1SMN1; SMN2NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL6573139 0.83 TAAR1 (0.41) TAAR1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL27602709 0.82 LOXL2 (0.54) TAAR1
SCHEMBL27540999 0.82 SKP2 (0.49) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL21296 0.81 TDP1 (0.50) TAAR1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6011731 0.80 BCL2 (0.41) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL18584564 0.80 CYP17A1 (0.33) TAAR1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL24800431 0.79 ALDH1A1 (0.43) TAAR1SMN1; SMN2NPC1RAB9AALDH1A1

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 TAAR1 2540/4885SMN1; SMN2 2205/4885NPC1 4610/4885

“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.