SCHEMBL1809896

SCHEMBL1809896

CCOc1cccc(OC2CCN(C(=O)c3ccnc(NC(C)=O)c3)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.50
NOS1 P29475 2/20 0.46
NOS2 P35228 2/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
HRH1 P35367 1/20 0.45
CCR3 P51677 1/20 0.45
PRKAA2 P54646 3/20 0.43
ADORA2A P29274 1/20 0.43
GAA P10253 1/20 0.43
PROKR1 Q8TCW9 1/20 0.43
NOS3 P29474 1/20 0.43

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
SCHEMBL1810727 0.90 NOS1 (0.44) ACACBNOS1NOS2KMT2AMEN1
SCHEMBL1809714 0.89 PRKAA2 (0.44) ACACBKMT2AMEN1HRH1CCR3
SCHEMBL12188760 0.88 KMT2A (0.46) ACACBNOS1NOS2KMT2AMEN1
SCHEMBL1809967 0.87 PRKAA2 (0.52) ACACBKMT2AMEN1PRKAA2
SCHEMBL1809576 0.85 ACACB (0.46) ACACBPRKAA2ADORA2A
SCHEMBL12188633 0.82 KMT2A (0.43) NOS1NOS2KMT2AMEN1HRH1
SCHEMBL1808541 0.82 NOS3 (0.53) ACACBNOS1NOS2PROKR1NOS3
SCHEMBL16784863 0.81 PRKAA2 (0.46) KMT2AMEN1PRKAA2GAA
SCHEMBL12188804 0.79 KMT2A (0.45) NOS1NOS2KMT2AMEN1GAA
SCHEMBL12100031 0.78 HSD11B1 (0.49) KMT2AMEN1HRH1CCR3PRKAA2

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
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US claimed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US claimed
WO-2011058766-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-05-19 WO claimed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
WO-2011058766-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-05-19 WO 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-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B ACACB 3122/4885NOS1 1351/4885NOS2 1926/4885

“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.