SCHEMBL1819931

SCHEMBL1819931

CN(CC(=O)N(C)c1ccccc1)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.53
▸ HTT P42858 1/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ POLQ O75417 2/20 0.45
▸ TRPV1 Q8NER1 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ KCNA5 P22460 2/20 0.42
▸ KCNN4 O15554 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ PLOD2 O00469 1/20 0.41
▸ PYGL P06737 1/20 0.40
▸ LMNA P02545 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
SCHEMBL1818937 0.85 NOTUM (0.51) NOTUMHTTKMT2AKDM4EPOLQ
SCHEMBL1824173 0.85 NOTUM (0.51) NOTUMHTTKMT2AKDM4EPOLQ
SCHEMBL28709691 0.84 HTT (0.48) NOTUMHTTKDM4ETRPV1GAA
SCHEMBL11675144 0.84 KMT2A (0.53) KMT2AKDM4EPOLQALDH1A1
SCHEMBL1820289 0.83 NOTUM (0.49) NOTUMHTTKMT2AKDM4EPOLQ
SCHEMBL17968066 0.80 F7 (0.44) NOTUMHTTPOLQTRPV1GAA
SCHEMBL3884249 0.79 NOTUM (0.56) NOTUMHTTKMT2AKDM4EPOLQ
SCHEMBL16166142 0.78 NOTUM (0.56) NOTUMHTTKMT2APOLQTRPV1
SCHEMBL6164413 0.78 NOTUM (0.58) NOTUMHTTKMT2AKDM4EPOLQ
SCHEMBL25629360 0.78 NOTUM (0.58) NOTUMHTTKMT2APOLQTRPV1

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 NOTUM 3462/4885HTT 334/4885KMT2A 4052/4885

“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.

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