SCHEMBL130118

SCHEMBL130118

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(=O)N2CCC(Cc3ccccc3)CC2)ccc1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 3/20 0.50
▸ CYP2C19 P33261 3/20 0.50
▸ MAPK14 Q16539 3/20 0.50
▸ HTR2B P41595 2/20 0.50
▸ CHRM2 P08172 2/20 0.49
▸ MGLL Q99685 1/20 0.48
▸ RHOA P61586 2/20 0.47
▸ PRSS12 P56730 3/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ RHOC P08134 1/20 0.46
▸ MBTD1 Q05BQ5 1/20 0.46
▸ L3MBTL3 Q96JM7 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ NPBWR1 P48145 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ MCHR1 Q99705 1/20 0.45

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
SCHEMBL131370 0.89 CYP2C9 (0.52) CYP2C9CYP2C19MAPK14HTR2BCHRM2
SCHEMBL3277363 0.85 LRRK2 (0.50) CYP2C9CYP2C19MAPK14HTR2BCHRM2
SCHEMBL129392 0.81 P2RX1 (0.56) —
SCHEMBL129393 0.77 P2RX1 (0.60) —
SCHEMBL130726 0.73 LRRK2 (0.54) SMN1; SMN2ALDH1A1
SCHEMBL18657469 0.73 ALDH1A1 (0.61) L3MBTL1SMN1; SMN2HTTALDH1A1MEN1
SCHEMBL24398131 0.73 FAAH (0.60) CHRM2MGLLSMN1; SMN2HTTALDH1A1
SCHEMBL1575443 0.72 FAAH (0.57) CYP2C9CYP2C19MAPK14HTR2BSMN1; SMN2
SCHEMBL10719972 0.71 HTT (0.78) CYP2C9CYP2C19MAPK14HTR2BSMN1; SMN2
SCHEMBL10723602 0.70 MGLL (0.67) CYP2C9CYP2C19MAPK14HTR2BMGLL

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 12 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
EP-1844766-B1 Inhibitors against the production and release of inflammatory cytokines INST MED MOLECULAR DESIGN INC (JP) 2012-04-18 — — EP disclosed
EP-1352650-B1 INHIBITORS AGAINST THE PRODUCTION AND RELEASE OF INFLAMMATORY CYTOKINES INST MED MOLECULAR DESIGN INC (JP) 2012-03-07 — — EP 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 CYP2C9 2082/4885CYP2C19 1929/4885MAPK14 512/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A CYP2C9 2035/4885CYP2C19 1840/4885MAPK14 437/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A CYP2C9 2035/4885CYP2C19 1840/4885MAPK14 437/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A CYP2C9 2035/4885CYP2C19 1840/4885MAPK14 437/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB CYP2C9 2889/4885CYP2C19 2296/4885MAPK14 404/4885

“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.

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