SCHEMBL6004065

SCHEMBL6004065

Nc1cnn(Cc2ccc(-c3ccc(Cn4ncc(N)c4N)cc3)cc2)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.37
GRM2 Q14416 1/20 0.37
NPBWR1 P48145 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MITF O75030 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HRH4 Q9H3N8 2/20 0.34

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
SCHEMBL3254682 0.94 TSHR (0.55) TSHRALDH1A1NPC1LMNAKDM4E
Hydrochloric Acid SCHEMBL6755818 0.92 TSHR (0.53) TSHRALDH1A1NPC1LMNAKDM4E
SCHEMBL6002740 0.89 TSHR (0.50) TSHRALDH1A1NPC1LMNAKDM4E
SCHEMBL33918 0.87 TSHR (0.62) TSHRALDH1A1NPC1LMNANPBWR1
SCHEMBL145302 0.85 NPC1 (0.57) TSHRALDH1A1NPC1LMNANPBWR1
SCHEMBL144813 0.85 TSHR (0.69) TSHRALDH1A1KDM4ERECQLSMN1; SMN2
Hydrochloric Acid SCHEMBL4872292 0.81 KDM4E (0.56) TSHRALDH1A1NPC1LMNAKDM4E
SCHEMBL6243855 0.81 TSHR (0.47) TSHRALDH1A1NPC1LMNAKDM4E
SCHEMBL1801455 0.81 NPBWR1 (0.54) TSHRALDH1A1NPC1LMNAKDM4E
SCHEMBL6003862 0.79 TSHR (0.53) TSHRALDH1A1LMNARECQLSMN1; SMN2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257249-B1 DIAMINOPYRAZOLE DERIVATIVES AND OXIDATION HAIR DYE CONTAINING PYRAZOLONE DERIVATIVES WELLA AG (DE) 2006-11-02 EP claimed
US-7018426-B2 Oxidation dye WELLA AG (DE) 2006-03-28 US claimed
WO-2005023209-A1 AGENT AND METHOD FOR DYEING KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2005-03-17 WO claimed
EP-1313434-B1 OXIDATION DYE WELLA AG (DE) 2005-01-12 EP claimed
US-6793687-B2 YELLOW AND ORANGE RANGE COLORING WELLA AKTIENGESELLSCHAFT (DE) 2004-09-21 US claimed
US-6716257-B2 OXIDATION DYES, WHICH ARE USED FOR TREATMENT OF HUMAN HAIR WELLA AKTIENGESELLSCHAFT (DE) 2004-04-06 US claimed
EP-1236460-B1 Bridged diamino pyrazoles and colouring agents containing them WELLA AG (DE) 2003-11-26 EP claimed
US-20030159222-A1 Oxidation dye HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-08-28 US claimed
US-20030131423-A1 Diaminopyrazole derivatives and oxidation hair dye containing pyrazolone derivatives HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-07-17 US claimed
EP-1313434-A1 OXIDATION DYE Wella Aktiengesellschaft (DE) 2003-05-28 EP claimed
US-20020170125-A1 Bridged diaminopyrazole compounds and dye compositions containing same HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2002-11-21 US claimed
EP-1257249-A1 DIAMINOPYRAZOLE DERIVATIVES AND OXIDATION HAIR DYE CONTAINING PYRAZOLONE DERIVATIVES Wella Aktiengesellschaft (DE) 2002-11-20 EP claimed
WO-2002069918-A1 DIAMINOPYRAZOLE DERIVATIVES AND OXIDATION HAIR DYE CONTAINING PYRAZOLONE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2002-09-12 WO claimed
WO-2002069919-A1 OXIDATION DYE WELLA AKTIENGESELLSCHAFT (DE) 2002-09-12 WO claimed
EP-1236460-A1 Bridged diamino pyrazoles and colouring agents containing them Wella Aktiengesellschaft (DE) 2002-09-04 EP claimed
EP-1257249-B1 DIAMINOPYRAZOLE DERIVATIVES AND OXIDATION HAIR DYE CONTAINING PYRAZOLONE DERIVATIVES WELLA AG (DE) 2006-11-02 EP disclosed
US-7018426-B2 Oxidation dye WELLA AG (DE) 2006-03-28 US disclosed
EP-1257249-A1 DIAMINOPYRAZOLE DERIVATIVES AND OXIDATION HAIR DYE CONTAINING PYRAZOLONE DERIVATIVES Wella Aktiengesellschaft (DE) 2002-11-20 EP disclosed
WO-2002069918-A1 DIAMINOPYRAZOLE DERIVATIVES AND OXIDATION HAIR DYE CONTAINING PYRAZOLONE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2002-09-12 WO disclosed
WO-2002069919-A1 OXIDATION DYE WELLA AKTIENGESELLSCHAFT (DE) 2002-09-12 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 (3 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-20030159222-A1 Oxidation dye KRT18, NOX4, VIM TSHR 4742/4885ALDH1A1 55/4885NPC1 4496/4885
US-20030131423-A1 Diaminopyrazole derivatives and oxidation hair dye containing pyrazolone derivatives KRT18, AOC1, PPOX TSHR 4214/4885ALDH1A1 70/4885NPC1 4706/4885
US-20020170125-A1 Bridged diaminopyrazole compounds and dye compositions containing same ALK, DDC, CBR1 TSHR 3885/4885ALDH1A1 11/4885NPC1 1857/4885

“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.