SCHEMBL331811

SCHEMBL331811

CCN(C=O)c1sc(NC(=O)c2cc(Br)ccc2O)nc1-c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 3/20 0.38
KMT2A Q03164 3/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 2/20 0.38
TMPRSS4 Q9NRS4 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PLTP P55058 1/20 0.36
ALOX15 P16050 1/20 0.36
MEN1 O00255 2/20 0.35
POLB P06746 1/20 0.35
SORT1 Q99523 1/20 0.35
PLAU P00749 2/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PLAT P00750 1/20 0.34

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
SCHEMBL331528 0.89 MAPT (0.39) MAPTSMN1; SMN2GAAKMT2AHPGD
SCHEMBL5495441 0.80 MAPT (0.40) MAPTSMN1; SMN2GAAKMT2AHPGD
SCHEMBL330267 0.79 SMN1; SMN2 (0.47) MAPTSMN1; SMN2KMT2AHPGDHTT
SCHEMBL330526 0.78 TMPRSS4 (0.42) MAPTSMN1; SMN2GAAKMT2ATMPRSS4
SCHEMBL3276817 0.74 RAB9A (0.41) SMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL330479 0.68 RAB9A (0.67) MAPTSMN1; SMN2GAAKMT2AHTT
SCHEMBL330259 0.68 KMT2A (0.60) MAPTSMN1; SMN2KMT2AHPGDHTT
SCHEMBL330478 0.67 TMPRSS4 (0.43) MAPTSMN1; SMN2GAAKMT2AHPGD
SCHEMBL330283 0.67 GPER1 (0.44) MAPTSMN1; SMN2GAAKMT2AHPGD
SCHEMBL330992 0.66 XIAP (0.56) MAPTSMN1; SMN2KMT2AHPGDKDM4E

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 7 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-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 (4 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 MAPT 1849/4885SMN1; SMN2 4852/4885GAA 525/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A MAPT 2086/4885SMN1; SMN2 4859/4885GAA 618/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A MAPT 2086/4885SMN1; SMN2 4859/4885GAA 618/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB MAPT 2435/4885SMN1; SMN2 4820/4885GAA 954/4885

“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.