SCHEMBL5656965

SCHEMBL5656965

CCc1cccc2c1N(Cc1ccccc1Cl)C(=O)C2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 5/20 0.53
CHRM3 P20309 1/20 0.50
ALDH1A1 P00352 4/20 0.46
ALDH3A1 P30838 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TGM2 P21980 1/20 0.46
TP53 P04637 3/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
APAF1 O14727 1/20 0.44
CYP1A2 P05177 1/20 0.44
BCHE P06276 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL5656572 0.87 L3MBTL1 (0.60) CHRM5CHRM3ALDH1A1L3MBTL1TGM2
SCHEMBL12857524 0.80 CASP3 (0.65) CHRM5ALDH1A1ALDH3A1MAPTSMN1; SMN2
SCHEMBL28070743 0.80 TP53 (0.51) CHRM5CHRM3L3MBTL1TGM2TP53
SCHEMBL4609842 0.79 CES1 (0.66) CHRM5CHRM3ALDH1A1ALDH3A1TGM2
SCHEMBL10339317 0.76 TYR (0.64) ALDH1A1MAPTSMN1; SMN2HPGDLMNA
SCHEMBL30967409 0.76 CHRM5 (0.70) CHRM5CHRM3ALDH1A1ALDH3A1TP53
SCHEMBL18954872 0.76 CHRM5 (0.55) CHRM5CHRM3ALDH1A1ALDH3A1TGM2
SCHEMBL28026197 0.75 CHRM5 (0.61) CHRM5CHRM3ALDH1A1ALDH3A1L3MBTL1
SCHEMBL5659656 0.75 ACHE (0.66) CHRM5ALDH1A1ALDH3A1L3MBTL1TGM2
SCHEMBL9904848 0.74 ALDH3A1 (0.72) CHRM5ALDH1A1ALDH3A1BCHECES1

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 6 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-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
EP-1487792-A1 DIHYDROINDOL-2-ONE DERIVATIVES AS STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-12-22 EP disclosed
WO-2003078394-A1 DIHYDROINDOL-2-ONE DERIVATIVES AS STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-09-25 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-20050054712-A1 Dihydroindol-2-one derivatives as steroid hormone nuclear receptor modulators NR3C2, NR5A1, NR5A2 CHRM5 1591/4885CHRM3 1478/4885ALDH1A1 723/4885

“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.