SCHEMBL9985296

SCHEMBL9985296

Cc1ccccc1-c1nc2c(Cl)cccc2c(=O)o1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.64
C1R P00736 2/20 0.56
F7 P08709 1/20 0.52
F3 P13726 1/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 2/20 0.52
NPC1 O15118 1/20 0.52
F2 P00734 1/20 0.50
PKM P14618 1/20 0.49
HTT P42858 1/20 0.45
PARP1 P09874 1/20 0.44
PRSS1 P07477 1/20 0.44
CTSG P08311 1/20 0.44
KLK7 P49862 1/20 0.44
KLK14 Q9P0G3 1/20 0.44
KLK5 Q9Y337 1/20 0.44

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
SCHEMBL25054223 0.89 C1R (0.63) ELANEC1RF7F3MEN1
SCHEMBL9985390 0.88 C1R (0.70) ELANEC1RMEN1KMT2AMAPT
SCHEMBL5257723 0.86 C1R (0.58) ELANEC1RMEN1KMT2AMAPT
SCHEMBL9985005 0.83 ELANE (0.64) ELANEC1RMEN1KMT2AMAPT
SCHEMBL9984176 0.83 ELANE (0.64) ELANEC1RF7F3MEN1
SCHEMBL9984385 0.83 ELANE (0.66) ELANEC1RMEN1KMT2AMAPT
SCHEMBL5921483 0.81 ELANE (0.51) ELANEC1RMEN1KMT2AMAPT
SCHEMBL4185334 0.80 ELANE (0.60) ELANEC1RF7F3MEN1
SCHEMBL11869103 0.80 NPC1 (0.55) ELANEMAPTNPC1HTT
SCHEMBL16431272 0.79 C1R (0.65) ELANEC1RF7F3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319611-A1 BENZOXAZINONE COMPOUND, METHOD FOR PRODUCING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CHANG GUNG UNIVERSITY (TW) 2011-12-29 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-20110319611-A1 BENZOXAZINONE COMPOUND, METHOD FOR PRODUCING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CYP4X1, CYP2B6, CYP2C19 ELANE 3461/4885C1R 84/4885F7 207/4885

“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.