SCHEMBL810747

SCHEMBL810747

Nc1cccc(OCc2cc(F)cc(F)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 13/20 0.67
▸ APP P05067 1/20 0.61
▸ TP53 P04637 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ MAOA P21397 1/20 0.48
▸ NR4A2 P43354 1/20 0.47
▸ TSHR P16473 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ DHFR P00374 1/20 0.46
▸ DCPS Q96C86 1/20 0.46
▸ IDO1 P14902 1/20 0.46

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
SCHEMBL30633287 0.88 MAOB (0.73) MAOBAPPMAOANR4A2IDO1
SCHEMBL811194 0.88 MAOB (0.73) MAOBAPPMAOANR4A2IDO1
SCHEMBL4639599 0.87 MAOB (0.55) MAOBAPPTP53CYP3A4NR4A2
SCHEMBL810623 0.86 MAOB (0.72) MAOBAPPTP53CYP3A4MAOA
SCHEMBL4638518 0.81 MAOB (0.69) MAOBAPPTP53CYP3A4MAOA
SCHEMBL5134633 0.81 MAOB (0.53) MAOBMAOANR4A2MAPT
SCHEMBL5376609 0.80 MAOB (0.72) MAOBAPPMAOAMAPTIDO1
3-(Benzyloxy)Aniline SCHEMBL291445 0.80 MAOB (1.00) MAOBAPPTP53CYP3A4MAOA
3-(Benzyloxy)Aniline SCHEMBL29428912 0.80 MAOB (1.00) MAOBAPPTP53CYP3A4MAOA
3-(Benzyloxy)Aniline SCHEMBL11263814 0.79 MAOB (0.96) MAOBAPPTP53CYP3A4MAOA

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 18 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
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 — — EP disclosed
US-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2011-12-08 — — US disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 — — EP disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 — — 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
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 — — US 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 (3 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 654/4885APP 2083/4885TP53 3574/4885
US-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MAOB 3352/4885APP 3580/4885TP53 465/4885
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 MAOB 654/4885APP 2083/4885TP53 3574/4885

“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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