SCHEMBL755969

SCHEMBL755969

Cc1ccc(C(F)(F)F)nc1I

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CXCR4 P61073 1/20 0.36
TRPV4 Q9HBA0 1/20 0.35
PDE2A O00408 1/20 0.35
PDE10A Q9Y233 1/20 0.35
PTGS2 P35354 7/20 0.34
PTGS1 P23219 4/20 0.34
IDH1 O75874 1/20 0.33
IDH2 P48735 1/20 0.33
PDE4B Q07343 1/20 0.32
GAA P10253 1/20 0.32
SDHB P21912 1/20 0.32
NLRP3 Q96P20 1/20 0.32
ALPL P05186 1/20 0.31
ALPI P09923 1/20 0.31

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
SCHEMBL1584056 0.79 NOS3 (0.44) HSP90AA1HSP90AB1LMNAKDM4ECXCR4
SCHEMBL19155972 0.77 LMNA (0.36) HSP90AA1HSP90AB1LMNAKDM4ECXCR4
SCHEMBL19450884 0.77 HSP90AA1 (0.36) HSP90AA1HSP90AB1LMNAKDM4ECXCR4
Ammonia Solution, Strong SCHEMBL27852366 0.77 NOS3 (0.43) HSP90AA1HSP90AB1LMNAKDM4ECXCR4
SCHEMBL1506604 0.76 LMNA (0.42) HSP90AA1HSP90AB1LMNAKDM4ECXCR4
SCHEMBL17986994 0.76 HSP90AA1 (0.44) HSP90AA1HSP90AB1KDM4ECXCR4TRPV4
SCHEMBL30464974 0.76 PTGS2 (0.37) HSP90AA1HSP90AB1LMNAKDM4ECXCR4
SCHEMBL13295570 0.76 PDE2A (0.40) HSP90AA1HSP90AB1LMNAKDM4ECXCR4
SCHEMBL22211759 0.76 HSP90AA1 (0.35) HSP90AA1HSP90AB1LMNAKDM4ECXCR4
SCHEMBL2269503 0.76 PTGS2 (0.37) HSP90AA1HSP90AB1LMNAKDM4ECXCR4

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 10 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
CN-101379048-B Benzoxazines and related nitrogen-containing heterobicyclic compounds useful as mineralocorticoid receptor modulating agents MITSUBISHI TANABE PHARMA CORP 2012-03-21 CN 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
CN-101379048-A Benzo  oxazines and related nitrogen-containing heterobicyclic compounds useful as mineralocorticoid receptor modulating agents MITSUBISHI TANABE PHARMA CORP (JP) 2009-03-04 CN 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 HSP90AA1 2295/4885HSP90AB1 2201/4885LMNA 4075/4885
US-20110251185-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS NR3C2, MC2R, NR3C1 HSP90AA1 2295/4885HSP90AB1 2201/4885LMNA 4075/4885

“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.