SCHEMBL98388

SCHEMBL98388

CCCN([C]=O)N1CCCCC1C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 2/20 0.33
ADH1C P00326 1/20 0.33
MEN1 O00255 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 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
SCHEMBL99125 0.86 GAA (0.31)
SCHEMBL98601 0.82 PSEN1 (0.32) ADH1AADH1CTSHRKMT2A
SCHEMBL1856789 0.73 GAA (0.33)
SCHEMBL7689470 0.72 HRH3 (0.30)
SCHEMBL27545320 0.69 ALDH1A1 (0.34)
SCHEMBL99816 0.68 KMT2A (0.33) MEN1TSHRKMT2A
SCHEMBL3700579 0.68 CHRM2 (0.32)
SCHEMBL3591809 0.66 ACHE (0.33) ADH1AADH1C
SCHEMBL27351277 0.65 ALDH1A1 (0.37) MEN1KMT2A
SCHEMBL28783779 0.64 HPGD (0.37) MEN1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426123-B1 PYRAZOLE-BASED CYANINE DYE CONTAINING QUATERNARY AMMONIUM CATION WAKO PURE CHEM IND LTD (JP) 2014-08-06 EP 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
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 ADH1A 3134/4885ADH1C 2916/4885MEN1 2696/4885

“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.