SCHEMBL1822178

SCHEMBL1822178

CC(Oc1cc(Cl)cc(Cl)c1)(C(N)=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
ENPP2 Q13822 1/20 0.40
DHODH Q02127 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
LMNA P02545 3/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PHGDH O43175 1/20 0.34
USP7 Q93009 1/20 0.34
ATM Q13315 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL1821302 0.86 NPSR1 (0.52) NPSR1ALDH1A1HTTF2PRSS1
SCHEMBL1818671 0.84 NPSR1 (0.43) NPSR1ALDH1A1HTTLMNAPOLB
SCHEMBL1817638 0.79 KMT2A (0.52) NPSR1ALDH1A1HTTLMNASMN1; SMN2
SCHEMBL1695081 0.72 NPSR1 (0.58) NPSR1ALDH1A1HTTF2PRSS1
SCHEMBL29931026 0.72 NPSR1 (0.58) NPSR1ALDH1A1HTTF2PRSS1
SCHEMBL1820465 0.70 KMT2A (0.38) ALDH1A1HTTLMNAPOLBSMN1; SMN2
SCHEMBL1822177 0.69 CNR1 (0.37) NPSR1ENPP2ALDH1A1HTTMAPT
SCHEMBL1823517 0.69 MAPT (0.40) ALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL2956140 0.69 NPSR1 (0.60) NPSR1ALDH1A1HTTSMN1; SMN2
SCHEMBL4440925 0.68 NPSR1 (0.52) NPSR1ALDH1A1HTTF2PRSS1

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 NPSR1 4470/4885ENPP2 480/4885DHODH 713/4885

“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.