SCHEMBL1819152

SCHEMBL1819152

COc1ccccc1C(C)(Oc1cccnc1)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49
MKNK1 Q9BUB5 2/20 0.43
MKNK2 Q9HBH9 2/20 0.43
NOTUM Q6P988 1/20 0.42
MAPT P10636 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AHR P35869 1/20 0.41
LMNA P02545 2/20 0.40
CYP1A1 P04798 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP1B1 Q16678 2/20 0.40
CYP3A4 P08684 1/20 0.40

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 0.85 KMT2A (0.44) KMT2AKDM4EALDH1A1MEN1GAA
SCHEMBL1823233 0.84 GAA (0.41) KMT2AKDM4EALDH1A1MEN1GAA
SCHEMBL1820279 0.81 ALDH1A1 (0.42) KMT2AALDH1A1MEN1GAAMAPK1
SCHEMBL1821692 0.81 HTT (0.44) KMT2AALDH1A1MEN1MAPK1NPC1
SCHEMBL1819393 0.81 PARP1 (0.44) KMT2AKDM4EGAAMAPK1MAPT
SCHEMBL1817638 0.80 KMT2A (0.52) KMT2AALDH1A1MEN1MAPTNPC1
SCHEMBL1819287 0.79 MAPT (0.41) KMT2AALDH1A1MEN1GAAMAPK1
SCHEMBL1824424 0.76 ALDH1A1 (0.42) KMT2AALDH1A1MEN1MAPTNPC1
SCHEMBL1820378 0.75 KMT2A (0.40) KMT2AKDM4EALDH1A1MEN1GAA
SCHEMBL1821619 0.74 CTNNB1 (0.49) KMT2AKDM4EGAAMAPTSMN1; 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 4052/4885KDM4E 4164/4885ALDH1A1 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.