SCHEMBL31360031

SCHEMBL31360031

COc1cc(C2(NC(=O)c3cc(OCC4CCN4)c([N+](=O)[O-])cc3C)CC2)c2cccnc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.34
▸ MAPT P10636 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ CCR6 P51684 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ AURKA O14965 1/20 0.32
▸ MET P08581 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ TEK Q02763 1/20 0.32

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
SCHEMBL30344514 1.00 ALDH1A1 (0.34) ALDH1A1MAPTPOLBLMNACHRNB4
SCHEMBL31359901 0.90 MAPT (0.34) ALDH1A1MAPTPOLBLMNAMEN1
SCHEMBL30344284 0.90 MAPT (0.34) ALDH1A1MAPTPOLBLMNAMEN1
SCHEMBL31360254 0.88 ALDH1A1 (0.35) ALDH1A1MAPTPOLBLMNACHRNB4
SCHEMBL30344445 0.88 ALDH1A1 (0.35) ALDH1A1MAPTPOLBLMNACHRNB4
SCHEMBL25156511 0.85 LMNA (0.36) POLBLMNACHRNB4CHRNA3MEN1
SCHEMBL31360087 0.85 LMNA (0.36) POLBLMNACHRNB4CHRNA3MEN1
SCHEMBL25155580 0.85 LMNA (0.36) POLBLMNACHRNB4CHRNA3MEN1
SCHEMBL25155722 0.85 LMNA (0.36) POLBLMNACHRNB4CHRNA3MEN1
SCHEMBL31360321 0.85 LMNA (0.36) POLBLMNACHRNB4CHRNA3MEN1

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-20250025443-A1 COMPOUNDS AND METHODS FOR TREATING CORONA VIRUSES Clear Creek Bio, Inc. (US) 2025-01-23 — — 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-20250025443-A1 COMPOUNDS AND METHODS FOR TREATING CORONA VIRUSES ACE, PREP, PEPD ALDH1A1 2460/4885MAPT 1146/4885POLB 879/4885

“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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