SCHEMBL330588

SCHEMBL330588

COc1ccc(-c2ccccc2)cc1NC(=O)c1cc(Cl)ccc1O

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACLY P53396 6/20 0.74
KCNMA1 Q12791 5/20 0.62
ALDH1A1 P00352 1/20 0.60
KDM4E B2RXH2 1/20 0.60
HIF1A Q16665 1/20 0.60
HDAC8 Q9BY41 2/20 0.59
METAP2 P50579 1/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
POLB P06746 1/20 0.57
NPC1 O15118 1/20 0.56
TMPRSS4 Q9NRS4 1/20 0.55
MAPT P10636 1/20 0.54
P2RX1 P51575 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53

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
SCHEMBL14363388 0.87 ACLY (0.62) ACLYKCNMA1ALDH1A1HDAC8MEN1
SCHEMBL13928800 0.85 KCNMA1 (0.72) KCNMA1ALDH1A1KDM4EHIF1AMETAP2
SCHEMBL21930912 0.85 ACLY (1.00) ACLYALDH1A1HDAC8MEN1KMT2A
SCHEMBL4367200 0.84 KCNMA1 (0.60) ACLYKCNMA1ALDH1A1KDM4EHIF1A
SCHEMBL12368165 0.83 MEN1 (0.65) ACLYALDH1A1KDM4EHDAC8MEN1
SCHEMBL1315890 0.83 ACLY (0.67) ACLYKCNMA1TMPRSS4HDAC1
SCHEMBL14363387 0.81 KCNMA1 (0.75) KCNMA1ALDH1A1KDM4EHIF1AHDAC8
SCHEMBL5459876 0.81 ACLY (0.60) ACLYKCNMA1ALDH1A1KDM4EHDAC8
SCHEMBL330019 0.80 KCNMA1 (0.64) KCNMA1ALDH1A1KDM4EHIF1AMETAP2
SCHEMBL1025899 0.80 KMT2A (0.74) KCNMA1ALDH1A1KDM4EHIF1AMETAP2

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 ACLY 2787/4885KCNMA1 3082/4885ALDH1A1 479/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A ACLY 2874/4885KCNMA1 3380/4885ALDH1A1 563/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB ACLY 2383/4885KCNMA1 2705/4885ALDH1A1 1025/4885

“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.