SCHEMBL1823233

SCHEMBL1823233

CC(Oc1cccnc1)(C(N)=O)c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
KCNN4 O15554 5/20 0.40
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KCNE1 P15382 1/20 0.37
KCNQ1 P51787 1/20 0.37
HTT P42858 1/20 0.36
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
SARM1 Q6SZW1 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT6 Q8N6T7 1/20 0.36
SIRT1 Q96EB6 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
SCHEMBL1821869 0.85 KCNN4 (0.51) NPC1KCNN4KMT2AKCNE1KCNQ1
SCHEMBL1819152 0.84 KMT2A (0.49) GAANPC1RAB9AKMT2AALDH1A1
SCHEMBL1817638 0.81 KMT2A (0.52) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL1823986 0.75 BCHE (0.41) NPC1RAB9AKCNN4SMN1; SMN2KCNE1
SCHEMBL1819713 0.71 MAOB (0.42) GAAHPGDKCNN4KMT2AMEN1
SCHEMBL1823231 0.70 CNR1 (0.42) GAANPC1RAB9AKMT2AALDH1A1
SCHEMBL1819151 0.69 CNR1 (0.41) GAANPC1RAB9AKMT2AALDH1A1
SCHEMBL1819040 0.69 MAPT (0.41) NPC1RAB9AKCNN4KMT2AMEN1
SCHEMBL1818643 0.69 ALDH1A1 (0.44) HPGDKCNN4KMT2AALDH1A1KDM4E
SCHEMBL3372165 0.68 PPARA (0.50) GAAKMT2AALDH1A1KDM4EMEN1

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 GAA 1015/4885NPC1 2196/4885HPGD 83/4885

“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.