SCHEMBL810623

SCHEMBL810623

Nc1cccc(OCc2ccc(F)cc2)c1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 11/20 0.72
▸ APP P05067 1/20 0.71
▸ MAOA P21397 1/20 0.60
▸ NR4A2 P43354 1/20 0.59
▸ TP53 P04637 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ MEN1 O00255 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ CASP6 P55212 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL2499037 0.87 MAOB (0.83) MAOBAPPMAOANR4A2MEN1
SCHEMBL810747 0.86 MAOB (0.67) MAOBAPPMAOANR4A2TP53
SCHEMBL30633287 0.85 MAOB (0.73) MAOBAPPMAOANR4A2
SCHEMBL811194 0.85 MAOB (0.73) MAOBAPPMAOANR4A2
3-(Benzyloxy)Aniline SCHEMBL29428912 0.84 MAOB (1.00) MAOBAPPMAOANR4A2TP53
3-(Benzyloxy)Aniline SCHEMBL291445 0.84 MAOB (1.00) MAOBAPPMAOANR4A2TP53
SCHEMBL4639670 0.83 MAOB (0.72) MAOBAPPMAOATP53CYP3A4
SCHEMBL810677 0.83 MAOB (0.72) MAOBAPPMAOATP53CYP3A4
SCHEMBL21480409 0.83 MAOB (0.71) MAOBAPPMAOANR4A2MAPT
SCHEMBL4638746 0.83 MAOB (0.72) MAOBAPPMAOANR4A2TP53

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 21 patents — showing the first 20. 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
US-20250304576-A1 IKK INHIBITORS CANCER RESEARCH TECH LTD (GB) 2025-10-02 — — US disclosed
EP-4522597-A1 IKK INHIBITORS Cancer Research Technology Limited (GB) 2025-03-19 — — EP disclosed
CN-119562945-A IKK inhibitors 癌症研究技术有限公司 2025-03-04 — — CN disclosed
WO-2023218201-A1 IKK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-11-16 — — WO 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
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 — — US disclosed
CN-101443334-A Anti-viral compounds ABBOTT LAB (US) 2009-05-27 — — CN disclosed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 — — US disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 — — 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
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 — — WO disclosed
WO-2006076202-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTORS LIGANDS EXELIXIS, INC. (US) 2006-07-20 — — 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 (4 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 2083/4885MAOA 686/4885
US-20250304576-A1 IKK INHIBITORS NFKBIA, IKBKE, IKBKB MAOB 3950/4885APP 2058/4885MAOA 4287/4885
US-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MAOB 3352/4885APP 3580/4885MAOA 3771/4885
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 MAOB 654/4885APP 2083/4885MAOA 686/4885

“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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