SCHEMBL758040

SCHEMBL758040

Nc1ccc2c(c1)SCC(=O)N2c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
GAA P10253 4/20 0.52
POLB P06746 1/20 0.52
DHODH Q02127 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 5/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 3/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
GFER P55789 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MGLL Q99685 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL2517534 0.76 NR3C2 (0.54) KMT2AMEN1GAAPOLBDHODH
SCHEMBL1368615 0.73 LMNA (0.63) KMT2AMEN1POLBALDH1A1L3MBTL1
SCHEMBL753856 0.73 NR3C2 (0.40) KMT2AMEN1GAAPOLBTSHR
SCHEMBL1421274 0.72 GAA (0.69) KMT2AMEN1GAAPOLBDHODH
SCHEMBL15998268 0.70 KMT2A (0.49) KMT2AMEN1GAAPOLBALDH1A1
SCHEMBL1421430 0.69 KMT2A (1.00) KMT2AMEN1GAAPOLBDHODH
SCHEMBL8298431 0.68 MEN1 (0.64) KMT2AMEN1GAAPOLBDHODH
SCHEMBL1664028 0.65 HPGD (0.50) KMT2AMEN1GAATSHRALDH1A1
SCHEMBL10399819 0.65 HPGD (0.50) KMT2AMEN1GAAPOLBALDH1A1
SCHEMBL3999750 0.64 LMNA (0.61) KMT2AMEN1GAAPOLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188073-B2 Benzoxazines and related nitrogen-containing heterobicyclic compounds useful as mineralocorticoid receptor modulating agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-05-29 US disclosed
EP-1984345-B9 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-21 EP disclosed
US-20110251185-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS IIJIMA TORU 2011-10-13 US disclosed
EP-1984345-B1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS MITSUBISHI TANABE PHARMA CORP (JP) 2011-08-31 EP disclosed
US-7998956-B2 Benzoxazines and related nitrogen-containing heterobicyclic compounds useful as mineralocorticoid receptor modulating agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-16 US disclosed
US-20090023716-A1 Benzoxazines and Related Nitrogen-Containing Heterobicyclic Compounds Useful as Mineralocorticoid Receptor Modulating Agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-22 US disclosed
EP-1984345-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS Mitsubishi Tanabe Pharma Corporation (JP) 2008-10-29 EP disclosed
WO-2007089034-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 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-20090023716-A1 Benzoxazines and Related Nitrogen-Containing Heterobicyclic Compounds Useful as Mineralocorticoid Receptor Modulating Agents NR3C2, MC2R, NR3C1 KMT2A 2504/4885MEN1 1447/4885GAA 4858/4885
US-20110251185-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS NR3C2, MC2R, NR3C1 KMT2A 2504/4885MEN1 1447/4885GAA 4858/4885

“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.