SCHEMBL3547170

SCHEMBL3547170

CC(CN(c1ccccc1)c1nc(Cl)ncc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 18/20 0.44
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4089261 0.89 PIN1 (0.43) PIN1MAPTALDH1A1
SCHEMBL3547171 0.79 PIN1 (0.45) PIN1MAPTALDH1A1
SCHEMBL3547175 0.78 PIN1 (0.44) PIN1MAPTALDH1A1
SCHEMBL1204074 0.77 PIN1 (0.43) PIN1MAPTALDH1A1SMN1; SMN2
SCHEMBL14941630 0.76 PIN1 (0.44) PIN1MAPTALDH1A1SMN1; SMN2
SCHEMBL3541923 0.76 PIN1 (0.35) PIN1MAPTALDH1A1SMN1; SMN2
SCHEMBL14941629 0.76 PIN1 (0.44) PIN1MAPTALDH1A1SMN1; SMN2
SCHEMBL4077793 0.74 PIN1 (0.47) PIN1ALDH1A1
SCHEMBL1288393 0.73 PIN1 (0.43) PIN1MAPTALDH1A1
SCHEMBL3621457 0.72 PIN1 (0.41) PIN1MAPT

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-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 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-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 PIN1 2833/4885MAPT 2200/4885ALDH1A1 422/4885

“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.