SCHEMBL5488954

SCHEMBL5488954

O=C(O)CNc1nc(F)nc(F)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.51
CA1 P00915 7/20 0.51
CA2 P00918 7/20 0.51
CA9 Q16790 7/20 0.51
CA14 Q9ULX7 7/20 0.51
CA4 P22748 6/20 0.51
CA6 P23280 6/20 0.51
CA7 P43166 6/20 0.51
CA5A P35218 5/20 0.51
CA3 P07451 4/20 0.51
MMP2 P08253 1/20 0.41
MMP7 P09237 1/20 0.41
MMP10 P09238 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 1/20 0.39
CA13 Q8N1Q1 4/20 0.38
CA5B Q9Y2D0 2/20 0.38
KLK7 P49862 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
SCHEMBL721907 0.84 CA12 (0.51) CA12CA1CA2CA9CA14
SCHEMBL7713008 0.79 CA12 (0.40) CA12CA1CA2CA9CA14
SCHEMBL5884933 0.76 CA12 (0.46) CA12CA1CA2CA9CA14
SCHEMBL21963629 0.75 KMT2A (0.68) CA12CA1CA2CA9CA14
SCHEMBL9438755 0.74 CA12 (0.59) CA12CA1CA2CA9CA14
SCHEMBL1870258 0.74 CA1 (0.49) CA12CA1CA2CA9CA14
SCHEMBL15440765 0.74 CYP1A2 (0.48) CA12CA1CA2CA9CA14
SCHEMBL17089132 0.74 CA1 (0.45) CA12CA1CA2CA9CA14
SCHEMBL4292023 0.74 CA12 (0.55) CA12CA1CA2CA9CA14
SCHEMBL19876831 0.72 MAPT (0.52) CA12CA1CA2CA9CA14

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 13 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-1399115-A1 DYEING COMPOSITION FOR HUMAN KERATINOUS FIBRES WITH DIRECT DYES AND DICATIONIC COMPOUNDS L'OREAL (FR) 2004-03-24 EP claimed
WO-2002100367-A1 DYEING COMPOSITION FOR HUMAN KERATINOUS FIBRES WITH DIRECT DYES AND DICATIONIC COMPOUNDS L'OREAL (FR) 2002-12-19 WO 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 CA12 504/4885CA1 1430/4885CA2 1975/4885

“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.