SCHEMBL4638480

SCHEMBL4638480

Cc1cccc(COc2cccc(N)c2)c1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 11/20 0.70
▸ MAOA P21397 3/20 0.61
▸ APP P05067 1/20 0.59
▸ IDO1 P14902 2/20 0.56
▸ TP53 P04637 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ ACHE P22303 2/20 0.51
▸ TSHR P16473 1/20 0.49
▸ NR1H4 Q96RI1 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
SCHEMBL7923400 0.93 MAOB (0.65) MAOBMAOAAPPIDO1TP53
SCHEMBL4638518 0.90 MAOB (0.69) MAOBMAOAAPPTP53CYP3A4
SCHEMBL15344203 0.88 MAOB (0.80) MAOBMAOAIDO1ACHENR1H4
SCHEMBL22874550 0.85 MAOB (0.66) MAOBMAOAIDO1ACHE
SCHEMBL4639670 0.85 MAOB (0.72) MAOBMAOAAPPTP53CYP3A4
SCHEMBL1547975 0.84 MAOB (0.74) MAOBMAOAIDO1ACHE
Hydrochloric Acid SCHEMBL9795656 0.83 MAOB (0.70) MAOBMAOAAPPTP53CYP3A4
SCHEMBL810700 0.83 MAOB (0.70) MAOBAPPIDO1TP53CYP3A4
3-(Benzyloxy)Aniline SCHEMBL291445 0.82 MAOB (1.00) MAOBMAOAAPPTP53CYP3A4
3-(Benzyloxy)Aniline SCHEMBL29428912 0.82 MAOB (1.00) MAOBMAOAAPPTP53CYP3A4

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 15 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
WO-2023040793-A1 ANTI-INFLAMMATORY COMPOUND AND USE THEREOF 映恩生物制药(苏州)有限公司 2023-03-23 — — WO disclosed
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 654/4885MAOA 686/4885APP 2083/4885
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 MAOB 654/4885MAOA 686/4885APP 2083/4885

“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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