SCHEMBL429019

SCHEMBL429019

C=CCc1c(C)ccc2nc(C(CC)(C(=O)O)[N+](=O)[O-])ccc12

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL429018 1.00 ALDH1A1 (0.37) ALDH1A1CYP2C19KDM4EGAATSHR
SCHEMBL5263549 0.74 ALDH1A1 (0.35) ALDH1A1KDM4EGAATSHRSMN1; SMN2
SCHEMBL5263541 0.74 ALDH1A1 (0.35) ALDH1A1KDM4EGAATSHRSMN1; SMN2
SCHEMBL429986 0.70 ALDH1A1 (0.45) ALDH1A1KDM4EGAATSHRSMN1; SMN2
SCHEMBL9840526 0.64 L3MBTL1 (0.40) ALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL3190023 0.62 CYP2C19 (0.39) ALDH1A1CYP2C19TSHR
SCHEMBL430744 0.62 MAPT (0.47) ALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL5261603 0.61 KMT2A (0.41) ALDH1A1CYP2C19KDM4ETSHRSMN1; SMN2
SCHEMBL5261599 0.61 KMT2A (0.41) ALDH1A1CYP2C19KDM4ETSHRSMN1; SMN2
SCHEMBL428326 0.61 GPR35 (0.42) ALDH1A1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS BENTLEY JONATHAN (IT) 2012-01-26 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-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GABBR1, GABRQ, GABRE ALDH1A1 257/4885CYP2C19 350/4885KDM4E 3168/4885

“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.