SCHEMBL4638622

SCHEMBL4638622

NC(=O)c1cccc(OCc2cccc(C(F)(F)F)c2F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.60
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
SPHK2 Q9NRA0 2/20 0.48
SPHK1 Q9NYA1 2/20 0.48
MAOA P21397 1/20 0.47
PARP15 Q460N3 2/20 0.47
PARP14 Q460N5 2/20 0.47
PARP10 Q53GL7 2/20 0.47
DPP4 P27487 1/20 0.46
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
NR4A2 P43354 4/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
NR1H2 P55055 1/20 0.45
PARP1 P09874 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43

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
SCHEMBL4639730 0.90 MAOB (0.74) MAOBHDAC1HDAC6HDAC5SPHK2
SCHEMBL4639011 0.84 PARP10 (0.58) MAOBHDAC1HDAC6HDAC5PARP15
SCHEMBL4639994 0.84 MAOB (0.55) MAOBHDAC1HDAC6HDAC5SPHK2
SCHEMBL4638731 0.82 MAOB (0.53) MAOBHDAC1HDAC6HDAC5PARP15
SCHEMBL4638704 0.82 HDAC1 (0.51) MAOBHDAC1HDAC6HDAC5PARP15
SCHEMBL4638537 0.82 NR4A2 (0.60) MAOBMAOAPARP15PARP14PARP10
SCHEMBL4638181 0.82 PARP1 (0.50) MAOBPARP15PARP14PARP10NR4A2
SCHEMBL4639605 0.81 MAOB (0.50) MAOBHDAC1HDAC6HDAC5PARP15
SCHEMBL4638452 0.80 PARP10 (0.72) MAOBHDAC1HDAC6HDAC5SPHK2
SCHEMBL29873406 0.80 PARP10 (0.72) MAOBHDAC1HDAC6HDAC5SPHK2

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
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-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP 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 654/4885HDAC1 1848/4885HDAC6 1300/4885
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 MAOB 654/4885HDAC1 1848/4885HDAC6 1300/4885

“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.