SCHEMBL493446

SCHEMBL493446

Cc1cc(C)c(-c2noc(C(=O)O)n2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
TPMT P51580 1/20 0.44
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CNR2 P34972 1/20 0.39
HCAR1 Q9BXC0 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NR1H4 Q96RI1 2/20 0.37
HTT P42858 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.36
TSHR P16473 1/20 0.36
IP6K1 Q92551 1/20 0.36
IP6K3 Q96PC2 1/20 0.36
IP6K2 Q9UHH9 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
TP53 P04637 1/20 0.35
RXFP1 Q9HBX9 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
SCHEMBL493270 0.81 TPMT (0.39) ALDH1A1TPMTHCAR1TP53RXFP1
SCHEMBL493401 0.79 ALDH1A1 (0.42) ALDH1A1SCN10ATSHRLMNA
SCHEMBL19075479 0.76 NPC1 (0.56) CYP2C19NPSR1KDM4ENR1H4HTT
SCHEMBL11556690 0.76 TSHR (0.44) ALDH1A1CYP2C9CYP2C19NPSR1TSHR
SCHEMBL2090564 0.74 L3MBTL1 (0.52) ALDH1A1CYP2C9CYP2C19NPSR1KDM4E
SCHEMBL11368835 0.73 TPMT (0.65) ALDH1A1TPMTCNR2HCAR1HCAR2
SCHEMBL494418 0.72 TPMT (0.48) TPMTHCAR1TSHRTP53RXFP1
SCHEMBL493416 0.72 NR1H4 (0.43) NR1H4RARARARBRARG
SCHEMBL2090562 0.71 ALDH1A1 (0.37) ALDH1A1CYP2C9CYP2C19NPSR1KDM4E
SCHEMBL2097697 0.70 TSHR (0.40) ALDH1A1KDM4ETSHRLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD ALDH1A1 1349/4885TPMT 832/4885CYP2C9 200/4885

“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.