SCHEMBL4599207

SCHEMBL4599207

C=CCNCc1c(OC)cc(OCc2ccccc2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 12/20 0.49
▸ ALDH1A1 P00352 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ BCHE P06276 2/20 0.46
▸ PTPN1 P18031 1/20 0.45
▸ MAOB P27338 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ ALOX12 P18054 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL4599002 0.75 MAOB (0.54) ALDH1A1RAB9AMAOBMAPTALOX12
SCHEMBL13114964 0.74 PTPN1 (0.53) CD274ALDH1A1KDM4EBCHEPTPN1
SCHEMBL6701157 0.74 MAOB (0.61) ALDH1A1BCHEMAOBMAPTALOX12
SCHEMBL1745424 0.74 MAOB (0.53) NPC1RAB9ABCHEMAOBMAPT
Dimethylamine SCHEMBL25239231 0.73 MAOB (0.49) CD274ALDH1A1BCHEPTPN1MAOB
SCHEMBL21275467 0.73 ERN1 (0.49) CD274PTPN1MAOBL3MBTL1
SCHEMBL27998563 0.73 MAOB (0.59) ALDH1A1BCHEMAOBGAASMN1; SMN2
SCHEMBL31643956 0.72 ERN1 (0.48) NPC1RAB9APTPN1MAOBMAPT
SCHEMBL1554192 0.71 MAOB (0.54) KDM4ENPC1RAB9ABCHEMAOB
SCHEMBL25282560 0.71 MAOB (0.57) ALDH1A1BCHEMAOBMAPTALOX12

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556034-B1 INDOLE DERIVATIVES AS BETA-2 AGONISTS PFIZER LTD (GB) 2008-04-16 — — EP disclosed
EP-1556034-B1 INDOLE DERIVATIVES AS BETA-2 AGONISTS PFIZER LTD (GB) 2008-04-16 — — EP disclosed
US-7138527-B2 Inflammatory, allergic and respiratory disorders; beta 2 adrenoceptors agonists; such as 5-(-2-((-2-hydroxy-2-(4-hydroxy-3-(hydroxymethyl)phenyl)ethyl)amino)propyl) -N-(2-methoxybenzyl)-1H-indole-2-carboxamide PFIZER INC. (US) 2006-11-21 — — US disclosed
EP-1556034-A1 INDOLE DERIVATIVES AS BETA-2 AGONISTS Pfizer Limited (GB) 2005-07-27 — — EP disclosed
US-20050085526-A1 Indole derivatives useful for the treatment of diseases BROWN ALAN D (GB) 2005-04-21 — — US disclosed
US-6844362-B2 Indole derivatives useful for the treatment of diseases PFIZER INC (US) 2005-01-18 — — US disclosed
EP-1440966-A1 Indole derivatives useful for the treatment of diseases Pfizer Limited (GB) 2004-07-28 — — EP disclosed
US-20040116503-A1 Indole derivatives useful for the treatment of diseases PFIZER INC. 2004-06-17 — — US disclosed
WO-2004032921-A1 INDOLE DERIVATIVES AS BETA-2 AGONISTS PFIZER LIMITED (GB) 2004-04-22 — — 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 (1 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-20050085526-A1 Indole derivatives useful for the treatment of diseases IDO1, IDO2, INMT CD274 3743/4885ALDH1A1 549/4885KDM4E 2028/4885

“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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