SCHEMBL5658322

SCHEMBL5658322

COc1c(C)cc(C2(c3ccc([N+](=O)[O-])cc3)C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.47
TP53 P04637 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 5/20 0.41
HTT P42858 3/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GFER P55789 1/20 0.39
CNR1 P21554 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
SCN9A Q15858 2/20 0.37
MDM2 Q00987 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL5658782 0.89 TP53 (0.44) MAPTTP53SMN1; SMN2ALDH1A1HTT
SCHEMBL5660886 0.87 MAPT (0.49) MAPTTP53SMN1; SMN2ALDH1A1HTT
SCHEMBL5659749 0.85 MAPT (0.51) MAPTTP53SMN1; SMN2ALDH1A1HTT
SCHEMBL5658475 0.83 MAPT (0.46) MAPTTP53SMN1; SMN2ALDH1A1HTT
SCHEMBL5658441 0.83 MAPT (0.49) MAPTTP53SMN1; SMN2ALDH1A1HTT
SCHEMBL5660556 0.83 MAPT (0.46) MAPTTP53SMN1; SMN2ALDH1A1HTT
SCHEMBL5659083 0.78 MAPT (0.58) MAPTTP53SMN1; SMN2ALDH1A1HTT
SCHEMBL5659726 0.78 TP53 (0.52) MAPTTP53SMN1; SMN2ALDH1A1HTT
SCHEMBL5660174 0.78 CNR1 (0.57) MAPTTP53SMN1; SMN2ALDH1A1HTT
SCHEMBL5659386 0.77 GFER (0.52) MAPTTP53SMN1; SMN2ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7250442-B2 Dihydroindol-2-one derivatives as steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2007-07-31 US disclosed
US-7250442-B2 Dihydroindol-2-one derivatives as steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2007-07-31 US disclosed
US-20050054712-A1 Dihydroindol-2-one derivatives as steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2005-03-10 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-20050054712-A1 Dihydroindol-2-one derivatives as steroid hormone nuclear receptor modulators NR3C2, NR5A1, NR5A2 MAPT 3588/4885TP53 3370/4885SMN1; SMN2 3585/4885

“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.