SCHEMBL1817637

SCHEMBL1817637

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MAPT P10636 5/20 0.41
ALDH1A1 P00352 3/20 0.41
CNR1 P21554 1/20 0.40
MEN1 O00255 3/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
GPR132 Q9UNW8 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RAB9A P51151 2/20 0.36
GALR3 O60755 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
SCHEMBL1821300 0.88 PPARA (0.41) KMT2AMAPTALDH1A1MEN1HTT
SCHEMBL1823231 0.84 CNR1 (0.42) KMT2AMAPTALDH1A1CNR1MEN1
SCHEMBL1819151 0.82 CNR1 (0.41) KMT2AMAPTALDH1A1CNR1MEN1
SCHEMBL1822177 0.79 CNR1 (0.37) KMT2AMAPTALDH1A1CNR1MEN1
SCHEMBL1818670 0.75 MCL1 (0.40) KMT2AMAPTALDH1A1MEN1HTT
SCHEMBL1817638 0.71 KMT2A (0.52) KMT2AMAPTALDH1A1MEN1HTT
SCHEMBL3454068 0.71 CYP1A2 (0.69) KMT2AMAPTMEN1HTTLMNA
SCHEMBL1819039 0.70 PPARA (0.46) KMT2AMAPTALDH1A1MEN1HTT
SCHEMBL1818640 0.70 HDAC3 (0.58) RAB9A
SCHEMBL3372165 0.70 PPARA (0.50) KMT2AMAPTALDH1A1CNR1MEN1

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 2414/4885ALDH1A1 406/4885

“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.