SCHEMBL4488774

SCHEMBL4488774

COC(=O)CC1(C[N+](=O)[O-])CCN(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HTT P42858 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ DPP8 Q6V1X1 1/20 0.38
▸ DPP9 Q86TI2 1/20 0.38

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
SCHEMBL27640500 0.78 SMN1; SMN2 (0.46) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL23199385 0.73 MAPT (0.45) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL8587397 0.73 ALDH1A1 (0.56) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL9519331 0.73 ALDH1A1 (0.56) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL9363980 0.72 SMN1; SMN2 (0.52) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL10639160 0.72 SMN1; SMN2 (0.47) ALDH1A1MAPTLMNASMN1; SMN2HTR2A
SCHEMBL14188141 0.72 HTT (0.55) SMN1; SMN2HTTKMT2A
SCHEMBL27501012 0.71 HTT (0.45) ALDH1A1MAPK1L3MBTL1MAPTLMNA
SCHEMBL27484676 0.71 MAPT (0.61) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL23199272 0.71 ALDH1A1 (0.44) ALDH1A1MAPTLMNASMN1; SMN2HTR2A

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
US-7485647-B2 2-aminoquinoline derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-02-03 — — US disclosed
US-20060287340-A1 2-Aminoquinoline derivatives MSD K.K. (JP) 2006-12-21 — — US disclosed
EP-1630162-A1 2-AMINOQUINOLINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-03-01 — — EP 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-20060287340-A1 2-Aminoquinoline derivatives MCHR2, MC2R, MCHR1 ALDH1A1 1932/4885MAPK1 2151/4885L3MBTL1 2180/4885

“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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