SCHEMBL1813071

SCHEMBL1813071

O=C(COc1ccccc1C(=O)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1)N1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
MAPK1 P28482 1/20 0.46
GAA P10253 1/20 0.44
POLB P06746 3/20 0.44
HSD11B1 P28845 2/20 0.43
MGLL Q99685 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
CACNA1B Q00975 1/20 0.42

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
SCHEMBL1808574 0.91 FKBP1A (0.48) KMT2AMEN1MAPK1GAAHSD11B1
SCHEMBL1809803 0.88 HSD11B1 (0.46) KMT2AMEN1MAPK1GAAHSD11B1
SCHEMBL12188652 0.87 KMT2A (0.49) KMT2AMEN1MAPK1GAAPOLB
SCHEMBL1807419 0.86 CACNA1B (0.45) KMT2AMEN1MAPK1HSD11B1MGLL
SCHEMBL1810904 0.84 PRKAA2 (0.45) KMT2AMEN1MAPK1GAAHSD11B1
SCHEMBL12099450 0.81 EPHX2 (0.44) GAAHSD11B1MGLLALDH1A1TSHR
SCHEMBL1807766 0.81 PRKAA2 (0.48) GAAHSD11B1MGLLALDH1A1TSHR
SCHEMBL1808709 0.79 CACNA1B (0.46) GAAHSD11B1MGLLALDH1A1TSHR
SCHEMBL1807159 0.79 PRKAA2 (0.45) GAAHSD11B1MGLLALDH1A1LMNA
SCHEMBL1810570 0.78 MMP13 (0.43) KMT2AMEN1MAPK1GAAPOLB

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 9 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-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 KMT2A 1032/4885MEN1 4046/4885MAPK1 1136/4885

“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.