SCHEMBL19457418

SCHEMBL19457418

CCCCCCOC(=O)[C@@H](C)C[C@@H](N)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ MGLL Q99685 1/20 0.41
▸ CYSLTR2 Q9NS75 1/20 0.41
▸ CYSLTR1 Q9Y271 1/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ KCNH2 Q12809 1/20 0.40
▸ CACNA1F O60840 1/20 0.40
▸ CACNA1D Q01668 1/20 0.40
▸ CACNA1S Q13698 1/20 0.40
▸ CACNA1C Q13936 1/20 0.40
▸ DPP4 P27487 1/20 0.40
▸ DPP7 Q9UHL4 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ALOX12 P18054 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
SCHEMBL11909062 0.85 MAPT (0.46) MAPTL3MBTL1ALDH1A1MGLLCRHBP
SCHEMBL11909063 0.85 MAPT (0.46) MAPTL3MBTL1ALDH1A1MGLLCRHBP
SCHEMBL1161470 0.82 ALDH1A1 (0.47) ALDH1A1DPP4DPP7MEN1LMNA
SCHEMBL17171327 0.82 ALDH1A1 (0.47) ALDH1A1DPP4DPP7MEN1LMNA
SCHEMBL1161469 0.82 ALDH1A1 (0.47) ALDH1A1DPP4DPP7MEN1LMNA
SCHEMBL1161473 0.82 ALDH1A1 (0.47) ALDH1A1DPP4DPP7MEN1LMNA
SCHEMBL27610824 0.82 MAPT (0.48) MAPTL3MBTL1ALDH1A1MGLLCYSLTR2
SCHEMBL1161626 0.78 MEN1 (0.49) MAPTDPP4DPP7MEN1LMNA
SCHEMBL1161624 0.78 MEN1 (0.49) MAPTDPP4DPP7MEN1LMNA
SCHEMBL15134836 0.78 MEN1 (0.49) MAPTDPP4DPP7MEN1LMNA

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-20170291955-A1 BISPECIFIC HER2 ANTIBODIES ASTRAZENECA UK LIMITED (GB) 2017-10-12 — — 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-20170291955-A1 BISPECIFIC HER2 ANTIBODIES ERBB2, EGFR, ERBB3 MAPT 1139/4885L3MBTL1 4466/4885ALDH1A1 3936/4885

“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.

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