SCHEMBL19975876

SCHEMBL19975876

CCCCCCn1ncc(/N=N/c2n(CCCNC(C)=O)cc[n+]2CCC)c1N

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL19975879 0.97 CA1 (0.34) CA1CA2
SCHEMBL19975874 0.90 ACHE (0.31)
Bromide SCHEMBL19970392 0.89 EPHX1 (0.36) CA1CA2
Bromide SCHEMBL19970386 0.86 EPHX1 (0.36) CA1CA2
Bromide SCHEMBL19970432 0.86 EPHX1 (0.36) CA1CA2
Bromide SCHEMBL19970431 0.86 EPHX1 (0.36) CA1CA2
Bromide SCHEMBL19970389 0.86 EPHX1 (0.36) CA1CA2
SCHEMBL19975878 0.85 EEF2K (0.33) CA1CA2
Hydrochloric Acid SCHEMBL19970415 0.84 CA1 (0.33) CA1CA2
Hydrochloric Acid SCHEMBL19970412 0.84 CA1 (0.33) CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180079907-A1 Stable Yellow Imidazolium Compounds WELLA OPERATIONS US, LLC 2018-03-22 US disclosed
US-20180078477-A1 Method of Coloring Hair with Washfast Yellow Imidazolium Direct Dye Compounds WELLA OPERATIONS US, LLC 2018-03-22 US disclosed
US-9918919-B1 Method of coloring hair with washfast yellow imidazolium direct dye compounds NOXELL CORPORATION (US) 2018-03-20 US 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-20180078477-A1 Method of Coloring Hair with Washfast Yellow Imidazolium Direct Dye Compounds WASHC4, TYR, WASHC5 CA1 1121/4885CA2 920/4885
US-20180079907-A1 Stable Yellow Imidazolium Compounds IK, NDUFV1, NDUFV2 CA1 4204/4885CA2 2356/4885

“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.