SCHEMBL5430372

SCHEMBL5430372

CCC(C(=O)O)N(Cc1ccc(OCCN(C)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)Oc1ccc(OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.44
ACHE P22303 3/20 0.42
SLC6A4 P31645 2/20 0.42
BCHE P06276 1/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39

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
SCHEMBL5465436 0.83 KCNH2 (0.53) KCNH2ACHESLC6A4ALDH1A1SMN1; SMN2
SCHEMBL5458257 0.82 LMNA (0.43) KCNH2SMN1; SMN2
SCHEMBL5461251 0.80 PPARG (0.50) KCNH2SLC6A4ALDH1A1SMN1; SMN2
SCHEMBL5422779 0.75 TAS2R14 (0.45) ACHEALDH1A1SMN1; SMN2
SCHEMBL5430605 0.73 PPARG (0.45)
SCHEMBL5440280 0.72 PPARA (0.57)
SCHEMBL5431844 0.72 PPARG (0.44) ALDH1A1SMN1; SMN2
SCHEMBL26239251 0.72 KCNH2 (0.57) KCNH2ACHEBCHEALDH1A1SMN1; SMN2
SCHEMBL5432386 0.72 POLB (0.51) ACHEBCHEALDH1A1SMN1; SMN2GAA
SCHEMBL6505582 0.72 PPARG (0.54)

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
WO-2005049589-A2 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA, DIABETES, OBESITY AND SIMILAR DISEASES CADILA HEALTHCARE LIMITED (IN) 2005-06-02 WO claimed
US-20070275956-A1 Novel Heterocyclic Compounds CADILA HEALTHCARE LIMITED (IN) 2007-11-29 US disclosed
WO-2005049589-A2 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA, DIABETES, OBESITY AND SIMILAR DISEASES CADILA HEALTHCARE LIMITED (IN) 2005-06-02 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-20070275956-A1 Novel Heterocyclic Compounds CYP46A1, DHCR7, NPC1L1 KCNH2 2340/4885ACHE 344/4885SLC6A4 3155/4885

“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.