SCHEMBL3220892

SCHEMBL3220892

C=CCNc1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 5/20 0.47
MAPK1 P28482 2/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 2/20 0.43
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 1/20 0.40
MTOR P42345 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
ABCB1 P08183 1/20 0.40

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
SCHEMBL22191673 0.88 MAPT (0.60) HCAR3L3MBTL1MEN1MAPTKMT2A
SCHEMBL1252601 0.83 HCAR3 (0.66) HCAR3L3MBTL1MEN1MAPTKMT2A
SCHEMBL688666 0.82 HCAR3 (0.64) HCAR3L3MBTL1MEN1MAPTKMT2A
SCHEMBL29358760 0.82 HCAR3 (0.64) HCAR3L3MBTL1MEN1MAPTKMT2A
SCHEMBL1934590 0.82 HCAR3 (0.64) HCAR3L3MBTL1MEN1MAPTKMT2A
SCHEMBL594213 0.80 HCAR3 (0.61) HCAR3L3MBTL1MAPTALDH1A1MAPK1
SCHEMBL7130826 0.78 HCAR3 (0.60) HCAR3MEN1MAPTKMT2AALDH1A1
SCHEMBL8893097 0.78 HCAR3 (1.00) HCAR3MAPT
SCHEMBL15822762 0.78 KAT2B (0.61) HCAR3L3MBTL1MEN1MAPTKMT2A
SCHEMBL1344661 0.78 HCAR3 (0.58) HCAR3L3MBTL1MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803814-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2010-09-28 US disclosed
EP-1697350-B1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS LILLY CO ELI (US) 2008-06-25 EP disclosed
US-20070037788-A1 5-(3,8-Difluoro-6H-dibenzo[b,e]oxepin-11-ylidenemethyl)-1-(1-ethyl-pyrrolidin-3-yl) -1,3-dihydro-benzoimidazol-2-one; antiinflammatory, antidiabetic agent; electrolytes and water retention modulator; hypotensive, hypoglycemic agent; arrhythmias, myocardial fibrosis, osteoporosis, polyuria, polydipsia ELI LILLY AND COMPANY (US) 2007-02-15 US disclosed
EP-1697350-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-09-06 EP disclosed
WO-2005066161-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-07-21 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-20070037788-A1 5-(3,8-Difluoro-6H-dibenzo[b,e]oxepin-11-ylidenemethyl)-1-(1-ethyl-pyrrolidin-3-yl) -1,3-dihydro-benzoimidazol-2-one; antiinflammatory, antidiabetic agent; electrolytes and water retention modulator; hypotensive, hypoglycemic agent; arrhythmias, myocardial fibrosis, osteoporosis, polyuria, polydipsia SLC5A1, REN, AQP1 HCAR3 1784/4885L3MBTL1 3721/4885MEN1 2933/4885

“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.