SCHEMBL1820378

SCHEMBL1820378

COc1cccc(C(C)(Oc2ccccc2)C(N)=O)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
TP53 P04637 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
POLB P06746 1/20 0.38
NFE2L2 Q16236 1/20 0.38
TSHR P16473 1/20 0.37
HPGD P15428 2/20 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
SCHEMBL1818709 0.89 KMT2A (0.44) KMT2AMEN1SMN1; SMN2MAPTGAA
SCHEMBL1821692 0.84 HTT (0.44) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL1820279 0.82 ALDH1A1 (0.42) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL1819393 0.81 PARP1 (0.44) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1821619 0.80 CTNNB1 (0.49) KMT2ASMN1; SMN2MAPTGAAL3MBTL1
SCHEMBL1819287 0.80 MAPT (0.41) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL18493200 0.78 NFE2L2 (0.44) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1818643 0.77 ALDH1A1 (0.44) KMT2AMEN1MAPTL3MBTL1TSHR
SCHEMBL1819040 0.77 MAPT (0.41) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL1820578 0.76 KMT2A (0.38) KMT2ANPC1RAB9AMEN1SMN1; SMN2

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 4052/4885NPC1 2196/4885RAB9A 699/4885

“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.