SCHEMBL330382

SCHEMBL330382

COc1ccc(C(C)(C)C)cc1CCNC(=O)c1cc(Cl)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DNMT3A Q9Y6K1 1/20 0.55
NLRP3 Q96P20 3/20 0.51
PTGS1 P23219 1/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
LMNA P02545 2/20 0.49
P2RX1 P51575 1/20 0.49
CDK1 P06493 1/20 0.49
HTT P42858 1/20 0.48
KCNH2 Q12809 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 1/20 0.47
KCNMA1 Q12791 1/20 0.46

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
SCHEMBL20932944 0.80 DNMT3A (0.77) DNMT3ANLRP3HDAC1HDAC6
SCHEMBL4264812 0.80 ESRRG (0.42) GAA
SCHEMBL330019 0.79 KCNMA1 (0.64) LMNAP2RX1HTTSMN1; SMN2GAA
SCHEMBL29246641 0.75 GAA (0.60) DNMT3ASMN1; SMN2GAA
SCHEMBL11358119 0.73 DNMT3A (0.72) DNMT3ANLRP3HDAC1HDAC6
SCHEMBL22100172 0.71 DNMT3A (0.57) DNMT3ANLRP3LMNAP2RX1KCNMA1
SCHEMBL1144242 0.71 DNMT3A (1.00) DNMT3ANLRP3HDAC1HDAC6
SCHEMBL29808416 0.71 DNMT3A (1.00) DNMT3ANLRP3HDAC1HDAC6
SCHEMBL18614004 0.71 HSP90AA1 (0.56) P2RX1CDK1
SCHEMBL1154596 0.71 DNMT3A (0.68) DNMT3ANLRP3HDAC1HDAC6

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 DNMT3A 4832/4885NLRP3 74/4885PTGS1 51/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A DNMT3A 4846/4885NLRP3 72/4885PTGS1 48/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB DNMT3A 4566/4885NLRP3 131/4885PTGS1 33/4885

“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.