SCHEMBL5490730

SCHEMBL5490730

OCCCNc1nc(F)nc(F)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 6/20 0.47
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA3 P07451 2/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA5A P35218 1/20 0.41
SLC29A1 Q99808 1/20 0.41
CA13 Q8N1Q1 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL9697627 0.86 KMT2A (0.55) KCNH3KMT2AMEN1GAAMAPK1
SCHEMBL3295993 0.84 KCNH3 (0.60) KCNH3KMT2AMEN1GAAMAPK1
SCHEMBL10882847 0.78 SLC29A1 (0.49) KCNH3KMT2AMAPK1CA1CA2
SCHEMBL11500110 0.77 KCNH3 (0.54) KCNH3KMT2ASLC29A1
SCHEMBL6641584 0.77 KCNH3 (0.61) KCNH3KMT2AMEN1GAAMAPK1
SCHEMBL6641480 0.75 KCNH3 (0.65) KCNH3KMT2AMEN1GAAMAPK1
SCHEMBL6644498 0.75 KCNH3 (0.65) KCNH3KMT2AMEN1GAAMAPK1
SCHEMBL6638595 0.74 NUDT1 (0.49) KCNH3KMT2AMEN1GAAMAPK1
SCHEMBL9357110 0.74 KMT2A (0.61) KCNH3KMT2ACA12CA1CA2
SCHEMBL6641730 0.74 KCNH3 (0.51) KCNH3KMT2AMEN1MAPK1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189266-B2 Dyeing composition for human keratinous fibres with direct dyes and dicationic compounds L'OREAL, S.A. (FR) 2007-03-13 US claimed
US-20040237213-A1 Dyeing composition for human keratinous fibres with direct dyes and dicationic compounds L'OREAL S.A. (FR) 2004-12-02 US claimed
EP-0318294-B1 Dimeric and trimeric cationic dyes NIPPON CHEMICAL WORKS (JP) 1994-12-28 EP claimed
EP-0318294-A2 Dimeric and trimeric cationic dyes NIPPON CHEMICAL WORKS CO., LTD (JP) 1989-05-31 EP claimed
US-7189266-B2 Dyeing composition for human keratinous fibres with direct dyes and dicationic compounds L'OREAL, S.A. (FR) 2007-03-13 US disclosed
US-20040237213-A1 Dyeing composition for human keratinous fibres with direct dyes and dicationic compounds L'OREAL S.A. (FR) 2004-12-02 US disclosed
EP-1399115-A1 DYEING COMPOSITION FOR HUMAN KERATINOUS FIBRES WITH DIRECT DYES AND DICATIONIC COMPOUNDS L'OREAL (FR) 2004-03-24 EP disclosed
WO-2002100367-A1 DYEING COMPOSITION FOR HUMAN KERATINOUS FIBRES WITH DIRECT DYES AND DICATIONIC COMPOUNDS L'OREAL (FR) 2002-12-19 WO disclosed
EP-0318294-B1 Dimeric and trimeric cationic dyes NIPPON CHEMICAL WORKS (JP) 1994-12-28 EP disclosed
US-5125930-A Polymeric cationic dyes including a quaternized pyridinium group NIPPON CHEMICAL WORKS CO., LTD. (JP) 1992-06-30 US disclosed
EP-0318294-A2 Dimeric and trimeric cationic dyes NIPPON CHEMICAL WORKS CO., LTD (JP) 1989-05-31 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 (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-20040237213-A1 Dyeing composition for human keratinous fibres with direct dyes and dicationic compounds KRT18, DSG1, DSC1 KCNH3 395/4885KMT2A 1904/4885MEN1 2416/4885

“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.