SCHEMBL4640140

SCHEMBL4640140

NC(=O)c1cccc(OCc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.79
NR4A2 P43354 2/20 0.79
MRGPRX4 Q96LA9 3/20 0.70
MAPT P10636 2/20 0.59
HTT P42858 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
POLB P06746 1/20 0.57
FFAR1 O14842 1/20 0.57
FFAR4 Q5NUL3 1/20 0.57
HDAC1 Q13547 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
F2 P00734 1/20 0.55

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
SCHEMBL7442111 0.88 MAOB (0.76) MAOBNR4A2MRGPRX4HDAC1HDAC6
SCHEMBL30417785 0.88 MAOB (0.76) MAOBNR4A2MRGPRX4HDAC1HDAC6
SCHEMBL2649734 0.87 NR4A2 (0.75) MAOBNR4A2MRGPRX4MAPTHTT
SCHEMBL4639597 0.86 MAOB (0.59) MAOBNR4A2MRGPRX4HDAC1HDAC6
SCHEMBL4639564 0.84 MRGPRX4 (0.61) MAOBNR4A2MRGPRX4HDAC1HDAC6
SCHEMBL22480781 0.83 MRGPRX4 (1.00) MAOBNR4A2MRGPRX4
SCHEMBL202497 0.82 F2 (0.61) MAOBNR4A2F2
SCHEMBL1387246 0.82 NR4A2 (0.77) MAOBNR4A2MRGPRX4F2
SCHEMBL9442069 0.82 MRGPRX4 (0.79) MAOBNR4A2MRGPRX4MAPTHTT
SCHEMBL4638966 0.81 MAOB (0.53) MAOBNR4A2MRGPRX4HDAC1HDAC6

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP disclosed
EP-1844020-B1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS EXELIXIS INC (US) 2017-09-06 EP disclosed
US-8367667-B2 Pyrrole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-02-05 US disclosed
US-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2011-12-08 US disclosed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 US disclosed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP disclosed
EP-1844020-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS Exelixis, Inc. (US) 2007-10-17 EP disclosed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP disclosed
WO-2006076202-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTORS LIGANDS EXELIXIS, INC. (US) 2006-07-20 WO disclosed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO 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 (2 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-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 MAOB 654/4885NR4A2 416/4885MRGPRX4 267/4885
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 MAOB 654/4885NR4A2 416/4885MRGPRX4 267/4885

“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.