SCHEMBL331789

SCHEMBL331789

CC(C)(C)c1cc(NC(=O)c2cc(Cl)cnc2O)cc(C(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 7/20 0.50
NFKB1 P19838 10/20 0.49
JUN P05412 9/20 0.49
NFKB2 Q00653 9/20 0.49
RELA Q04206 9/20 0.49
XPO1 O14980 2/20 0.49
TMPRSS4 Q9NRS4 6/20 0.47
P2RX4 Q99571 4/20 0.47
P2RX7 Q99572 4/20 0.47
MEN1 O00255 1/20 0.47
IKBKB O14920 1/20 0.47
CHUK O15111 1/20 0.47
KDR P35968 1/20 0.47
FLT3 P36888 1/20 0.47
KMT2A Q03164 1/20 0.47
MYLK Q15746 1/20 0.47
MAP4K5 Q9Y4K4 1/20 0.47
ATF1 P18846 2/20 0.44
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL330789 0.86 P2RX1 (0.64) P2RX1NFKB1JUNNFKB2RELA
SCHEMBL330263 0.78 P2RX1 (0.78) P2RX1TMPRSS4P2RX4P2RX7MEN1
SCHEMBL24823427 0.77 P2RX1 (0.66) P2RX1NFKB1TMPRSS4P2RX4P2RX7
SCHEMBL5423454 0.76 RAB9A (0.57) P2RX1TMPRSS4P2RX4P2RX7KMT2A
SCHEMBL330211 0.72 TRPV1 (0.59) TMPRSS4MEN1KMT2ASMN1; SMN2
SCHEMBL330156 0.70 NR1H4 (0.60) P2RX1TMPRSS4P2RX4P2RX7MEN1
SCHEMBL9118381 0.69 ALDH1A1 (0.52) NFKB1JUNNFKB2RELAMEN1
SCHEMBL330257 0.68 P2RX1 (0.77) P2RX1NFKB1NFKB2RELATMPRSS4
SCHEMBL329752 0.67 CA1 (0.48) SMN1; SMN2
SCHEMBL330392 0.67 TMPRSS4 (0.75) P2RX1TMPRSS4P2RX4P2RX7MEN1

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 9 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
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 (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 P2RX1 1459/4885NFKB1 8/4885JUN 244/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A P2RX1 1538/4885NFKB1 8/4885JUN 262/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A P2RX1 1538/4885NFKB1 8/4885JUN 262/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB P2RX1 2316/4885NFKB1 6/4885JUN 213/4885

“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.