SCHEMBL6011404

SCHEMBL6011404

COc1cc(O)ccc1-c1ccc(N)cc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.53
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
WEE1 P30291 2/20 0.48
CHEK1 O14757 2/20 0.48
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
IMPDH2 P12268 1/20 0.42
IMPDH1 P20839 1/20 0.42
PTPN1 P18031 1/20 0.41
ALDH1A1 P00352 2/20 0.41
GUSB P08236 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
LCK P06239 1/20 0.40
TNIK Q9UKE5 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL6011278 0.88 WEE1 (0.47) MAOBESR1ESR2WEE1CHEK1
SCHEMBL6011530 0.87 MAPT (0.52) WEE1CHEK1IMPDH2IMPDH1ALDH1A1
SCHEMBL9623648 0.83 MAOB (0.67) MAOBESR1ESR2PTPN1ALDH1A1
SCHEMBL6011374 0.81 CA14 (0.48) MAOBESR1ESR2ALDH1A1GAA
SCHEMBL6011401 0.81 ALDH1A1 (0.53) IMPDH2IMPDH1ALDH1A1GAAMAPT
SCHEMBL6011394 0.81 ALDH1A1 (0.56) IMPDH2IMPDH1ALDH1A1GAAMAPT
SCHEMBL30839714 0.79 MAPT (0.59) WEE1CHEK1IMPDH2IMPDH1ALDH1A1
SCHEMBL347390 0.79 MAPT (0.59) WEE1CHEK1IMPDH2IMPDH1ALDH1A1
SCHEMBL7122103 0.79 NPC1 (0.49) MAOBALDH1A1GAAMAPTTSHR
SCHEMBL6011416 0.79 ALDH1A1 (0.50) PTPN1ALDH1A1GAAMAPTTSHR

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 MAOB 1896/4885ESR1 4247/4885ESR2 2953/4885

“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.