SCHEMBL5192309

SCHEMBL5192309

Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 1.00
GAA P10253 3/20 0.69
KMT2A Q03164 7/20 0.67
MEN1 O00255 6/20 0.67
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2C9 P11712 1/20 0.67
MAPT P10636 8/20 0.59
POLB P06746 2/20 0.59
LMNA P02545 6/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
HPGD P15428 6/20 0.56
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 4/20 0.56
USP2 O75604 1/20 0.56
NPC1 O15118 1/20 0.52
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PTGS2 P35354 1/20 0.50
MAPK1 P28482 1/20 0.48

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
SCHEMBL5190292 0.87 HTT (0.78) HTTGAAKMT2AMEN1CYP1A2
SCHEMBL15579457 0.85 HTT (0.74) HTTGAAKMT2AMEN1CYP1A2
SCHEMBL5190253 0.83 HTT (0.71) HTTGAAKMT2AMEN1CYP1A2
SCHEMBL16923162 0.83 HTT (0.70) HTTGAAKMT2AMEN1CYP1A2
SCHEMBL5191835 0.79 HTT (0.65) HTTGAAKMT2AMEN1CYP1A2
SCHEMBL15579067 0.78 HTT (0.63) HTTGAAKMT2AMEN1CYP1A2
SCHEMBL3835167 0.78 HTT (0.64) HTTGAAKMT2AMEN1CYP1A2
SCHEMBL1779819 0.78 HTT (0.64) HTTGAAKMT2AMEN1MAPT
SCHEMBL5928922 0.77 LMNA (0.70) HTTGAAKMT2AMEN1CYP1A2
SCHEMBL11487535 0.76 LMNA (0.74) HTTGAAKMT2AMEN1CYP1A2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1707187-B1 Reductive colorant for keratin fibres WELLA AG (DE) 2007-08-01 EP claimed
EP-1707188-B1 Reductive colouring system for keratin fibres WELLA AG (DE) 2007-08-01 EP claimed
US-20060242772-A1 Reductive colouring system for keratin fibres THE PROCTER & GAMBLE COMPANY 2006-11-02 US claimed
US-20060230548-A1 Reductive colorant for keratin fibres THE PROCTER & GAMBLE COMPANY 2006-10-19 US claimed
WO-2006107595-A1 REDUCTIVE COLORANT FOR KERATIN FIBRES THE PROCTER & GAMBLE COMPANY (US) 2006-10-12 WO claimed
EP-1707187-A1 Reductive colorant for keratin fibres Wella Aktiengesellschaft (DE) 2006-10-04 EP claimed
EP-1707188-A1 Reductive colouring system for keratin fibres Wella Aktiengesellschaft (DE) 2006-10-04 EP claimed
EP-1707187-B1 Reductive colorant for keratin fibres WELLA AG (DE) 2007-08-01 EP disclosed
US-20060230548-A1 Reductive colorant for keratin fibres THE PROCTER & GAMBLE COMPANY 2006-10-19 US disclosed
EP-1707187-A1 Reductive colorant for keratin fibres Wella Aktiengesellschaft (DE) 2006-10-04 EP 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 (2 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-20060242772-A1 Reductive colouring system for keratin fibres KRT18, OAT, COX6C HTT 3641/4885GAA 4521/4885KMT2A 1398/4885
US-20060230548-A1 Reductive colorant for keratin fibres KRT18, COX6C, CYC1 HTT 2961/4885GAA 4674/4885KMT2A 994/4885

“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.