SCHEMBL3484237

SCHEMBL3484237

N#CCOc1cccc(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.55
RAB9A P51151 2/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SOD1 P00441 1/20 0.45
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
FFAR1 O14842 1/20 0.43
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL30223759 1.00 MAOB (0.55) MAOBRAB9AHTTL3MBTL1SOD1
SCHEMBL509575 0.86 FFAR1 (0.48) MAOBHTTL3MBTL1ALDH1A1KDM4E
SCHEMBL18921107 0.81 MAOB (0.51) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL10574729 0.81 MAOB (0.55) MAOBRAB9AHTTL3MBTL1SOD1
SCHEMBL5806916 0.81 MAOB (0.55) MAOBRAB9AHTTL3MBTL1SOD1
SCHEMBL27558955 0.80 MAOB (0.50) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL14122832 0.78 FFAR1 (0.44) MAOBL3MBTL1ALDH1A1KDM4EFFAR1
SCHEMBL13883739 0.77 MAOB (0.64) MAOBRAB9AHTTL3MBTL1SOD1
SCHEMBL8195129 0.77 ACHE (0.50) MAOBHTTL3MBTL1ALDH1A1KDM4E
SCHEMBL3256254 0.77 MAOB (0.44) MAOBMRGPRX4FFAR1

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117769548-A Aromatic acetylene derivative and preparation method and application thereof 浙江海正药业股份有限公司 2024-03-26 CN disclosed
WO-2023011574-A1 AROMATIC ACETYLENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 浙江海正药业股份有限公司 2023-02-09 WO disclosed
CN-113563238-A 2-phenoxyethylamino cyclohexane sulfonamide compound and preparation method and application thereof 沈阳农业大学 2021-10-29 CN disclosed
EP-2986607-B1 ANTIBACTERIAL BIAROMATIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2017-06-14 EP disclosed
US-9527867-B2 Antibacterial biaromatic derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-12-27 US disclosed
US-20160075722-A1 Antibacterial Biaromatic Derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2016-03-17 US disclosed
EP-2986607-A1 ANTIBACTERIAL BIAROMATIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2016-02-24 EP disclosed
WO-2014170821-A1 ANTIBACTERIAL BIAROMATIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-10-23 WO disclosed
US-20100004159-A1 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATIONS AND USES GENFIT (FR) 2010-01-07 US disclosed
US-20100004159-A1 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATIONS AND USES GENFIT (FR) 2010-01-07 US disclosed
US-6201013-B1 INOSINE MONOPHOSPHATE DEHYDROGENASE (IMPDH) INHIBITOR; SIDE EFFECT REDUCTION, NON-DRUG RESISTANT AMERICAN HOME PRODUCTS CORPORATION 2001-03-13 US disclosed
US-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US disclosed
US-6166028-A Diaminopuridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION (US) 2000-12-26 US disclosed
WO-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034260-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034268-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034261-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 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-20100004159-A1 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATIONS AND USES IPO5, PPIP5K2, IPO4 MAOB 1518/4885RAB9A 1905/4885HTT 321/4885
US-20160075722-A1 Antibacterial Biaromatic Derivatives CYC1, C5, CYCS MAOB 877/4885RAB9A 3081/4885HTT 1669/4885

“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.