SCHEMBL1817638

SCHEMBL1817638

CC(Oc1cccnc1)(C(N)=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
MAPT P10636 9/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
MEN1 O00255 2/20 0.45
HTT P42858 3/20 0.44
LMNA P02545 2/20 0.43
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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) KMT2AMAPTNPSR1MEN1HTT
SCHEMBL1823233 0.81 GAA (0.41) KMT2AMEN1HTTALDH1A1RAB9A
SCHEMBL1819152 0.80 KMT2A (0.49) KMT2AMAPTCYP1A2NPSR1MEN1
SCHEMBL1822178 0.79 NPSR1 (0.47) MAPTNPSR1HTTLMNAALDH1A1
SCHEMBL1818671 0.75 NPSR1 (0.43) KMT2AMAPTNPSR1MEN1HTT
SCHEMBL1817637 0.71 KMT2A (0.43) KMT2AMAPTCYP1A2CYP2C9NPSR1
SCHEMBL1695081 0.71 NPSR1 (0.58) KMT2AMAPTNPSR1MEN1HTT
SCHEMBL29931026 0.71 NPSR1 (0.58) KMT2AMAPTNPSR1MEN1HTT
SCHEMBL18956877 0.67 ALDH1A1 (0.59) KMT2AMAPTCYP1A2CYP2C9NPSR1
SCHEMBL4440925 0.66 NPSR1 (0.52) KMT2ANPSR1MEN1HTTALDH1A1

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 KMT2A 4052/4885MAPT 2414/4885CYP1A2 763/4885

“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.