SCHEMBL5190253

SCHEMBL5190253

Cc1nn(-c2ccccn2)c(N2CCCC2)c1C=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.71
GAA P10253 3/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
MAPT P10636 10/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 2/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
HPGD P15428 3/20 0.43
CCNA2 P20248 2/20 0.42
CDK2 P24941 2/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 3/20 0.42
USP2 O75604 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL5192309 0.83 HTT (1.00) HTTGAAMEN1KMT2ACYP1A2
SCHEMBL5190922 0.83 HTT (0.48) HTTGAAMAPTL3MBTL1POLB
SCHEMBL123248 0.80 ALDH1A1 (0.52) HTTGAAMAPTL3MBTL1MAPK1
SCHEMBL29953885 0.78 MAPT (0.50) HTTGAAMAPTL3MBTL1MAPK1
SCHEMBL730547 0.78 MAPT (0.50) HTTGAAMAPTL3MBTL1MAPK1
SCHEMBL5190292 0.72 HTT (0.78) HTTGAAMEN1KMT2ACYP1A2
SCHEMBL15579457 0.70 HTT (0.74) HTTGAAMEN1KMT2ACYP1A2
SCHEMBL29462629 0.69 PLD1 (0.68) GAAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL230367 0.69 PLD1 (0.68) GAAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL18228078 0.69 PLD1 (0.68) GAAMEN1KMT2ACYP1A2CYP3A4

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 9 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
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
WO-2006107595-A1 REDUCTIVE COLORANT FOR KERATIN FIBRES THE PROCTER & GAMBLE COMPANY (US) 2006-10-12 WO 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 4521/4885MEN1 4025/4885
US-20060230548-A1 Reductive colorant for keratin fibres KRT18, COX6C, CYC1 HTT 2961/4885GAA 4674/4885MEN1 4140/4885

“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.