SCHEMBL330260

SCHEMBL330260

CC(C)(C)c1nc(NC(=O)c2cc(Br)ccc2O)sc1N1CCC(c2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
RAB9A P51151 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
TRPV4 Q9HBA0 7/20 0.38
TMPRSS4 Q9NRS4 1/20 0.37
CYP1A2 P05177 1/20 0.36
NPC1 O15118 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL330052 0.89 MAPT (0.39) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL332076 0.88 TRPV4 (0.41) MEN1RAB9AKMT2AALDH1A1MAPT
SCHEMBL330623 0.86 MEN1 (0.39) MEN1KMT2AMAPTTRPV4TMPRSS4
SCHEMBL330102 0.85 TRPV4 (0.45) TRPV4
SCHEMBL330057 0.84 LRRK2 (0.48) ALDH1A1MAPTHTTTMPRSS4
SCHEMBL331430 0.77 MAPT (0.53) MEN1RAB9AKMT2AALDH1A1MAPT
SCHEMBL330406 0.77 DRD3 (0.45) MEN1RAB9AKMT2AALDH1A1MAPT
SCHEMBL330453 0.74 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTTRPV4
SCHEMBL330258 0.73 TMPRSS4 (0.43) MEN1RAB9AKMT2AALDH1A1MAPT
SCHEMBL330478 0.73 TMPRSS4 (0.43) MEN1RAB9AKMT2AALDH1A1MAPT

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-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-12-25 US disclosed
EP-1847263-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-24 EP disclosed
EP-1844766-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-17 EP 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 (3 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 MEN1 4495/4885RAB9A 997/4885KMT2A 4486/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A MEN1 4504/4885RAB9A 1124/4885KMT2A 4531/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB MEN1 4661/4885RAB9A 1966/4885KMT2A 4095/4885

“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.