SCHEMBL2268117

SCHEMBL2268117

CC1(C)CN(c2ccc(F)cc2Cl)c2ccc([N+](=O)[O-])cc2O1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.44
WDR5 P61964 2/20 0.44
ALDH1A1 P00352 9/20 0.41
LMNA P02545 7/20 0.41
MAPT P10636 7/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MAPK1 P28482 2/20 0.41
GAA P10253 2/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 2/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL756044 0.85 NR3C2 (0.60) NR3C2WDR5ALDH1A1LMNAMAPT
SCHEMBL758117 0.78 NR3C2 (0.43) NR3C2WDR5ALDH1A1LMNAMAPT
SCHEMBL27735521 0.74 WDR5 (0.39) WDR5ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL27414020 0.73 MAPT (0.42) ALDH1A1LMNAMAPTGAAMEN1
SCHEMBL9147151 0.73 CASP6 (0.38) NR3C2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL9146981 0.72 L3MBTL1 (0.45) NR3C2WDR5ALDH1A1LMNAMAPT
SCHEMBL5140408 0.72 NR3C2 (0.41) NR3C2ALDH1A1LMNAMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL9143208 0.71 L3MBTL1 (0.44) NR3C2WDR5ALDH1A1LMNAMAPT
SCHEMBL758128 0.70 ALDH1A1 (0.36) NR3C2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL757262 0.67 NR3C2 (0.60) NR3C2WDR5ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20090023716-A1 Benzoxazines and Related Nitrogen-Containing Heterobicyclic Compounds Useful as Mineralocorticoid Receptor Modulating Agents NR3C2, MC2R, NR3C1 NR3C2 1/4885WDR5 3339/4885ALDH1A1 2133/4885

“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.