SCHEMBL1821319

SCHEMBL1821319

CN(c1ccccc1)C(C(N)=O)[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ TLR9 Q9NR96 2/20 0.36
▸ CRHBP P24387 2/20 0.36
▸ CRHR2 Q13324 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ S1PR4 O95977 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ CCR6 P51684 1/20 0.36
▸ PLAU P00749 1/20 0.36
▸ L3MBTL1 Q9Y468 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
SCHEMBL1822030 0.82 ATM (0.47) ATMALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL1821413 0.73 ALOX5 (0.43) ALDH1A1SMN1; SMN2SLC6A2SLC6A4MEN1
SCHEMBL8586520 0.73 ALOX5 (0.43) ALDH1A1SMN1; SMN2SLC6A2SLC6A4MEN1
SCHEMBL1821353 0.72 SLC6A2 (0.45) ALDH1A1SMN1; SMN2SLC6A2SLC6A4MEN1
SCHEMBL11760439 0.72 SLC6A2 (0.45) ALDH1A1SMN1; SMN2SLC6A2SLC6A4MEN1
SCHEMBL1818385 0.72 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2SLC6A2SLC6A4MEN1
Carbamic Acid SCHEMBL27977071 0.71 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2SLC6A2SLC6A4MEN1
SCHEMBL31467993 0.70 SLC6A2 (0.44) ALDH1A1SMN1; SMN2SLC6A2SLC6A4MEN1
SCHEMBL6577624 0.69 ALDH1A1 (0.38) ATMALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1653794 0.69 ALDH1A1 (0.38) ATMALDH1A1SMN1; SMN2MEN1KMT2A

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-7947712-B2 Antiarthritic agents; asthma; chronic obstructive pulminary diosrders; atherosclerosis; vision defects; hepatitis; central nervous system disorders; cardiovascular disorders; wound healing agents; restenosis; cirrhosis; multiple sclerosis; glomerulonephritis; graft versus host disease; antidiabetic agent WYETH LLC (US) 2011-05-24 — — US disclosed
US-20080269213-A1 8-Hydroxyquinoline compounds and methods thereof WYETH (US) 2008-10-30 — — 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-20080269213-A1 8-Hydroxyquinoline compounds and methods thereof MMP8, MMP26, MMP9 ATM 842/4885ALDH1A1 406/4885SMN1; SMN2 598/4885

“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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