SCHEMBL93268

SCHEMBL93268

CCCN([C]=O)N(C(C)C)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.35
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA14 Q9ULX7 1/20 0.32

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
SCHEMBL7966489 0.74 CA1 (0.32) CA1
SCHEMBL93284 0.74
SCHEMBL58554 0.72
SCHEMBL8128135 0.72 CA1 (0.31) CA1
SCHEMBL3469248 0.72 CA1 (0.31) CA1
SCHEMBL270451 0.68 CA12 (0.32) CA1CA12
SCHEMBL4610436 0.67 CA1 (0.35) CA1CA12CA2CA14
SCHEMBL16374949 0.65 CA1 (0.39) CA1CA12CA2CA14
SCHEMBL2915 0.64
SCHEMBL498146 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426488-B1 MEASUREMENT METHOD UTILIZING INTERNAL STANDARD SUBSTANCE WAKO PURE CHEM IND LTD (JP) 2016-04-20 EP disclosed
EP-2426123-B1 PYRAZOLE-BASED CYANINE DYE CONTAINING QUATERNARY AMMONIUM CATION WAKO PURE CHEM IND LTD (JP) 2014-08-06 EP disclosed
US-8663990-B2 Measurement method utilizing internal standard substance WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-03-04 US disclosed
US-8546586-B2 Pyrazole-based cyanine dye containing quaternary ammonium cation WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-10-01 US disclosed
EP-2426123-A1 PYRAZOLE-BASED CYANINE DYE CONTAINING QUATERNARY AMMONIUM CATION Wako Pure Chemical Industries, Ltd. (JP) 2012-03-07 EP disclosed
EP-2426488-A1 MEASUREMENT METHOD UTILIZING INTERNAL STANDARD SUBSTANCE Wako Pure Chemical Industries, Ltd. (JP) 2012-03-07 EP disclosed
US-20120043207-A1 MEASUREMENT METHOD UTILIZING INTERNAL STANDARD SUBSTANCE WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-23 US disclosed
US-20120046474-A1 PYRAZOLE-BASED CYANINE DYE CONTAINING QUATERNARY AMMONIUM CATION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-23 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 (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-20120046474-A1 PYRAZOLE-BASED CYANINE DYE CONTAINING QUATERNARY AMMONIUM CATION SLC43A1, HCN4, SLC7A5 CA1 368/4885CA12 8/4885CA2 34/4885

“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.