SCHEMBL1809580

SCHEMBL1809580

Cn1[c]cc(=O)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
ERCC1 P07992 1/20 0.42
FEN1 P39748 1/20 0.42
ERCC4 Q92889 1/20 0.42
GPR3 P46089 1/20 0.41
KDM4E B2RXH2 2/20 0.39
NQO2 P16083 1/20 0.39
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 2/20 0.37
HTT P42858 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PGR P06401 2/20 0.36
POLB P06746 1/20 0.35
IMPDH2 P12268 1/20 0.35
BRD4 O60885 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL137023 0.70 CA12 (0.39) HPGDGPR3KDM4EALDH1A1SMN1; SMN2
SCHEMBL1846760 0.69 CYP1A2 (0.42) GPR3KDM4ENQO2ALDH1A1MAPT
SCHEMBL4886603 0.68 CASP3 (0.43) HPGDKDM4EALDH1A1HSD17B10HTT
SCHEMBL637566 0.68 METAP2 (0.41) ERCC1FEN1ERCC4KDM4EALDH1A1
SCHEMBL3964359 0.68 CYP1A2 (0.41) HPGDGPR3KDM4EALDH1A1SMN1; SMN2
SCHEMBL1809581 0.67 ALDH1A1 (0.59) HPGDERCC1FEN1ERCC4GPR3
SCHEMBL29576413 0.67 ALDH1A1 (0.59) HPGDERCC1FEN1ERCC4GPR3
SCHEMBL7746014 0.65 HPGD (0.41) HPGDERCC1FEN1ERCC4GPR3
Hydrochloric Acid SCHEMBL29744398 0.65 ALDH1A1 (0.57) HPGDERCC1FEN1ERCC4GPR3
Iodide SCHEMBL27839552 0.65 ALDH1A1 (0.57) HPGDERCC1FEN1ERCC4GPR3

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 6 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-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 HPGD 1786/4885ERCC1 4438/4885FEN1 4834/4885

“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.