SCHEMBL2321743

SCHEMBL2321743

NNC(=O)COc1ccccc1Br

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OGG1 O15527 1/20 0.62
▸ LMNA P02545 4/20 0.60
▸ HPGD P15428 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ HTT P42858 1/20 0.60
▸ ALDH1A1 P00352 4/20 0.59
▸ KDM4E B2RXH2 3/20 0.59
▸ RAB9A P51151 5/20 0.57
▸ MAPT P10636 3/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ USP2 O75604 1/20 0.56
▸ GRM4 Q14833 3/20 0.54
▸ NPC1 O15118 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ GAA P10253 1/20 0.54
▸ STAT3 P40763 1/20 0.54
▸ STAT1 P42224 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.50
▸ MAPK1 P28482 1/20 0.49

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
SCHEMBL27998198 0.81 OGG1 (0.60) OGG1LMNAHPGDKMT2ASMN1; SMN2
SCHEMBL9201393 0.80 KDM4E (0.61) LMNAHPGDKMT2ASMN1; SMN2HTT
SCHEMBL4936220 0.79 RAB9A (0.63) OGG1LMNAHPGDKMT2ASMN1; SMN2
SCHEMBL11869994 0.79 NOTUM (0.67) OGG1LMNAKMT2ASMN1; SMN2HTT
SCHEMBL11874801 0.79 HSD17B10 (0.71) OGG1LMNAHPGDKMT2ASMN1; SMN2
SCHEMBL16835743 0.79 HPGD (0.63) OGG1LMNAHPGDKMT2ASMN1; SMN2
SCHEMBL3241147 0.78 PKM (0.64) LMNAHPGDKMT2ASMN1; SMN2HTT
SCHEMBL29125701 0.78 HSD17B10 (0.61) OGG1SMN1; SMN2HTTALDH1A1KDM4E
SCHEMBL15426820 0.77 OGG1 (0.69) OGG1LMNAHPGDKMT2AHTT
SCHEMBL5009269 0.77 GRM4 (0.55) LMNAHPGDKMT2ASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130065962-A1 Compounds For Use In The Treatment Of Diseases INOXIA LIFESCIENCES GMBH (AT) 2013-03-14 — — US claimed
EP-2528595-A1 COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES Inoxia Lifesciences GmbH (AT) 2012-12-05 — — EP claimed
WO-2011091461-A1 COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES PLANTA NATURSTOFFE VERTRIEBSGES.M.B.H. (AT) 2011-08-04 — — WO claimed
EP-2965755-A1 COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES Inoxia Lifesciences GmbH (AT) 2016-01-13 — — EP disclosed
EP-2965755-A1 COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES Inoxia Lifesciences GmbH (AT) 2016-01-13 — — EP disclosed
US-20130065962-A1 Compounds For Use In The Treatment Of Diseases INOXIA LIFESCIENCES GMBH (AT) 2013-03-14 — — US disclosed
US-20130065962-A1 Compounds For Use In The Treatment Of Diseases INOXIA LIFESCIENCES GMBH (AT) 2013-03-14 — — US disclosed
US-20130065962-A1 Compounds For Use In The Treatment Of Diseases INOXIA LIFESCIENCES GMBH (AT) 2013-03-14 — — US disclosed
EP-2528595-A1 COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES Inoxia Lifesciences GmbH (AT) 2012-12-05 — — EP disclosed
WO-2011091461-A1 COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES PLANTA NATURSTOFFE VERTRIEBSGES.M.B.H. (AT) 2011-08-04 — — WO disclosed
WO-2011091461-A1 COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES PLANTA NATURSTOFFE VERTRIEBSGES.M.B.H. (AT) 2011-08-04 — — WO disclosed
EP-1682143-A2 COMBINATIONS COMPRISING AN HSP90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA Pharmacia Corporation (US) 2006-07-26 — — EP disclosed
WO-2005044194-A2 TREATMENT OR PREVENTION OF NEOPLASIA BY USE OF AN Hsp90 INHIBITOR PHARMACIA CORPORATION (US) 2005-05-19 — — WO disclosed
WO-2005041879-A2 COMBINATIONS COMPRISING AN Hsp90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA PHARMACIA CORPORATION (US) 2005-05-12 — — 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-20130065962-A1 Compounds For Use In The Treatment Of Diseases SLC10A1, CYP27A1, OAT OGG1 2188/4885LMNA 1432/4885HPGD 401/4885

“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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