SCHEMBL331571

SCHEMBL331571

CC(=O)Oc1ccc(Cl)cc1C(=O)Nc1nc(C(C)(C)C)c(C(=O)C(C)(C)C)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.45
MAPT P10636 3/20 0.43
RXFP1 Q9HBX9 4/20 0.43
KDM4E B2RXH2 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
KCNMA1 Q12791 2/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 1/20 0.42
CLK4 Q9HAZ1 2/20 0.41
DCLK1 O15075 1/20 0.41
FES P07332 1/20 0.41
PIM1 P11309 1/20 0.41
CDK2 P24941 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
IRAK1 P51617 1/20 0.41
MAP4K2 Q12851 1/20 0.41
NTRK3 Q16288 1/20 0.41

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
SCHEMBL6101128 0.87 MAPT (0.42) MAPTRXFP1KDM4ENPSR1KCNMA1
SCHEMBL330373 0.84 KCNMA1 (0.50) KCNMA1MAP4K5MEN1KMT2A
SCHEMBL6103187 0.84 ALDH1A1 (0.45) MAPTRXFP1KDM4ENPSR1GAA
SCHEMBL6102790 0.80 LRRK2 (0.41) MAPTRXFP1KDM4ENPSR1KCNMA1
SCHEMBL330269 0.76 MAPT (0.49) MAPTRXFP1KDM4ENPSR1ALDH1A1
SCHEMBL330258 0.74 TMPRSS4 (0.43) MAPTRXFP1GAAALDH1A1NPC1
SCHEMBL10114134 0.73 RAB9A (0.51) MAPTKDM4ENPSR1KCNMA1ALDH1A1
SCHEMBL3475591 0.73 RAB9A (0.56) MAPTRXFP1KDM4ENPSR1GAA
SCHEMBL330156 0.72 NR1H4 (0.60) NR1H4KCNMA1ALDH1A1MAP4K5NPC1
SCHEMBL13951816 0.71 KCNMA1 (0.48) NR1H4MAPTRXFP1KDM4ENPSR1

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-8263657-B2 Blocking neurokinins; using a benzene compound containing hydroxy or acetoxy group; antiinflammatory agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-09-11 US disclosed
US-8097759-B2 Inflammatory cytokine release inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-01-17 US disclosed
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2010-10-28 US disclosed
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-07-30 US disclosed
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-12-25 US disclosed
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-10-09 US disclosed
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2004-12-23 US disclosed
EP-1352650-A1 INHIBITORS AGAINST THE PRODUCTION AND RELEASE OF INFLAMMATORY CYTOKINES Institute of Medicinal Molecular Design, Inc. (JP) 2003-10-15 EP 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 (5 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-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A NR1H4 1575/4885MAPT 1849/4885RXFP1 1723/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A NR1H4 1508/4885MAPT 2086/4885RXFP1 1763/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A NR1H4 1508/4885MAPT 2086/4885RXFP1 1763/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A NR1H4 1508/4885MAPT 2086/4885RXFP1 1763/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB NR1H4 2138/4885MAPT 2435/4885RXFP1 2470/4885

“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.