SCHEMBL99816

SCHEMBL99816

CCC1CCCCN1N([C]=O)CC

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 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
SCHEMBL98601 0.87 PSEN1 (0.32) KMT2APSEN1PSEN2APH1BNCSTN
SCHEMBL99125 0.81 GAA (0.31) ALDH1A1
SCHEMBL3700579 0.79 CHRM2 (0.32)
SCHEMBL27479767 0.76 KMT2A (0.38) KMT2APSEN1PSEN2APH1BNCSTN
SCHEMBL4228766 0.74 KMT2A (0.39) KMT2APSEN1PSEN2APH1BNCSTN
SCHEMBL4391302 0.69
SCHEMBL4158145 0.68 KMT2A (0.38) KMT2APSEN1PSEN2APH1BNCSTN
SCHEMBL98388 0.68 ADH1A (0.33) KMT2ATSHRMEN1
SCHEMBL1853443 0.67
SCHEMBL27461657 0.67 CHRNB2 (0.36) KMT2APSEN1PSEN2APH1BNCSTN

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 KMT2A 3230/4885PSEN1 4770/4885PSEN2 4859/4885

“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.