SCHEMBL832780

SCHEMBL832780

COC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.61
RECQL P46063 2/20 0.61
NPSR1 Q6W5P4 2/20 0.61
MITF O75030 1/20 0.61
RAB9A P51151 1/20 0.61
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
POLB P06746 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
HPGD P15428 2/20 0.56
VCAM1 P19320 1/20 0.55
LMNA P02545 3/20 0.55
HSP90AA1 P07900 1/20 0.55
USP2 O75604 1/20 0.54
MCL1 Q07820 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
TTR P02766 1/20 0.52
APP P05067 1/20 0.52
HTT P42858 1/20 0.52
ALDH1A1 P00352 2/20 0.50

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
SCHEMBL832781 1.00 MAPT (0.61) MAPTRECQLNPSR1MITFRAB9A
SCHEMBL6955229 0.85 MAPT (0.57) MAPTRECQLNPSR1MITFRAB9A
SCHEMBL1177905 0.85 MAPT (0.57) MAPTRECQLNPSR1MITFRAB9A
SCHEMBL6168986 0.84 ALDH1A1 (0.57) MAPTRECQLRAB9AMEN1KMT2A
SCHEMBL6168977 0.84 ALDH1A1 (0.57) MAPTRECQLRAB9AMEN1KMT2A
SCHEMBL29913976 0.84 APP (0.66) MAPTNPSR1MEN1KMT2APOLB
SCHEMBL11799189 0.84 MAPT (0.65) MAPTRECQLNPSR1MITFRAB9A
SCHEMBL11799184 0.84 MAPT (0.65) MAPTRECQLNPSR1MITFRAB9A
SCHEMBL358100 0.83 TUBB4A (0.63) MAPTNPSR1MEN1KMT2ATDP1
SCHEMBL8237371 0.83 TTR (0.52) MAPTRECQLNPSR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2131840-B1 COMBINATION OF BENZIMIDAZOLE ANTI-CANCER AGENT AND A SECOND ANTI-CANCER AGENT MEI PHARMA INC (US) 2018-10-17 EP disclosed
US-9518050-B2 Cyclohexyl and quinuclidinyl carbamate derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activity ALMIRALL, S.A. (ES) 2016-12-13 US disclosed
CN-101287712-B Heterocyclic compounds S BIO PTE LTD 2012-10-31 CN disclosed
US-8143282-B2 Heterocyclic compounds S*BIO PTE LTD. (SG) 2012-03-27 US disclosed
US-8143282-B2 Heterocyclic compounds S*BIO PTE LTD. (SG) 2012-03-27 US disclosed
US-8143282-B2 Heterocyclic compounds S*BIO PTE LTD. (SG) 2012-03-27 US disclosed
US-8080567-B2 EP2 receptor agonists ASTERAND UK LIMITED (GB) 2011-12-20 US disclosed
US-8080567-B2 EP2 receptor agonists ASTERAND UK LIMITED (GB) 2011-12-20 US disclosed
US-8080567-B2 EP2 receptor agonists ASTERAND UK LIMITED (GB) 2011-12-20 US disclosed
EP-1937650-B1 HETEROCYCLIC COMPOUNDS S BIO PTE LTD (SG) 2011-06-15 EP disclosed
WO-2008108741-A1 COMBINATION OF BENZIMIDAZOLE ANTI-CANCER AGENT AND A SECOND ANTI-CANCER AGENT S*BIO PTE LTD (SG) 2008-09-12 WO disclosed
EP-1937650-A1 HETEROCYCLIC COMPOUNDS S*Bio Pte Ltd (SG) 2008-07-02 EP disclosed
US-20070213336-A1 Biaromatic compound activators of ppargamma receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-09-13 US disclosed
CN-1964944-A Indole derivatives as antiviral agents ANGELETTI P IST RICHERCHE BIO (IT) 2007-05-16 CN disclosed
WO-2007030080-A1 HETEROCYCLIC COMPOUNDS S*BIO PTE LTD (SG) 2007-03-15 WO disclosed
WO-2007030080-A1 HETEROCYCLIC COMPOUNDS S*BIO PTE LTD (SG) 2007-03-15 WO disclosed
WO-2007017687-A2 EP2 RECEPTOR AGONISTS ASTERAND UK LIMITED (GB) 2007-02-15 WO disclosed
US-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2003-04-24 US disclosed
EP-1292585-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-03-19 EP disclosed
WO-2001098282-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 2001-12-27 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-20070213336-A1 Biaromatic compound activators of ppargamma receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD MAPT 4428/4885RECQL 2011/4885NPSR1 1723/4885
US-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors SQLE, CYP17A1, ACOX1 MAPT 4824/4885RECQL 635/4885NPSR1 2520/4885

“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.