SCHEMBL330467

SCHEMBL330467

Cc1cc2c(cc1NC(=O)c1cc(Cl)ccc1O)C(C)(C)CCC2(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 8/20 0.57
P2RX1 P51575 6/20 0.52
TMPRSS4 Q9NRS4 5/20 0.52
NPC1 O15118 2/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
HTT P42858 2/20 0.50
RAB9A P51151 2/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
NPY1R P25929 1/20 0.50
NPY2R P49146 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
TAS1R2 Q8TE23 1/20 0.49
P2RX4 Q99571 3/20 0.49
P2RX7 Q99572 3/20 0.49
MEN1 O00255 1/20 0.48
AURKA O14965 1/20 0.48

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
SCHEMBL13189705 0.75 P2RX1 (0.64) KCNMA1P2RX1TMPRSS4NPC1LMNA
SCHEMBL24460164 0.74 TAS1R3 (0.76) KCNMA1P2RX1TMPRSS4NPC1LMNA
SCHEMBL21568077 0.74 RXRA (0.47) MEN1ADRA2ABLMKMT2A
SCHEMBL12010997 0.73 KMT2A (0.74) KCNMA1P2RX1NPC1LMNAMAPT
SCHEMBL18341379 0.73 KMT2A (0.78) KCNMA1P2RX1NPC1LMNAMAPT
SCHEMBL8459822 0.73 RARB (0.65) MEN1ALDH1A1CYP1A2CYP3A4ADRA2A
SCHEMBL11232095 0.73 KCNMA1 (0.60) KCNMA1P2RX1TMPRSS4NPC1LMNA
SCHEMBL24460183 0.73 LMNA (0.68) KCNMA1P2RX1TMPRSS4NPC1LMNA
SCHEMBL30771734 0.73 LMNA (0.68) KCNMA1P2RX1TMPRSS4NPC1LMNA
SCHEMBL13772243 0.72 KCNMA1 (0.59) KCNMA1P2RX1TMPRSS4NPC1LMNA

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 10 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-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-12-25 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 (5 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 KCNMA1 3082/4885P2RX1 1459/4885TMPRSS4 1813/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A KCNMA1 3380/4885P2RX1 1538/4885TMPRSS4 1647/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A KCNMA1 3380/4885P2RX1 1538/4885TMPRSS4 1647/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A KCNMA1 3380/4885P2RX1 1538/4885TMPRSS4 1647/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB KCNMA1 2705/4885P2RX1 2316/4885TMPRSS4 3292/4885

“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.