SCHEMBL4029915

SCHEMBL4029915

CN(C)C(=O)/C=C/c1ccc(N)c(-c2nnn[nH]2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.38
IP6K2 Q9UHH9 1/20 0.38
APP P05067 1/20 0.35
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX5 P09917 2/20 0.32
PTGS2 P35354 2/20 0.32
BCHE P06276 1/20 0.32
MAOA P21397 1/20 0.32
ACHE P22303 1/20 0.32
MAOB P27338 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31

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
SCHEMBL4029918 1.00 IP6K1 (0.38) IP6K1IP6K2APPCYP4F2CYP4A11
SCHEMBL4026319 0.83 PELI1 (0.39) IP6K1IP6K2CCNCCDK8HDAC1
SCHEMBL4021494 0.83 TTR (0.46) IP6K1IP6K2APPSMN1; SMN2RELA
SCHEMBL4026316 0.83 PELI1 (0.39) IP6K1IP6K2CCNCCDK8HDAC1
SCHEMBL4021497 0.83 TTR (0.46) IP6K1IP6K2APPSMN1; SMN2RELA
SCHEMBL4026769 0.76 MAPT (0.36) SMN1; SMN2
SCHEMBL1464163 0.74 AURKA (0.41) HDAC1HDAC2
SCHEMBL4029897 0.72 LRRK2 (0.44)
SCHEMBL4022857 0.69 THRB (0.39) CCNCCDK8SMN1; SMN2HDAC1HDAC2
SCHEMBL4021504 0.68 HPGD (0.42) SMN1; 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
EP-1537075-B1 DIARYLUREA DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH AS (DK) 2009-07-01 EP disclosed
US-20060160856-A1 Diarylurea derivatives and their use as chloride channel blockers NEUROSEARCH A/S (DK) 2006-07-20 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-20060160856-A1 Diarylurea derivatives and their use as chloride channel blockers KIT, ORAI1, CACNA1C IP6K1 1386/4885IP6K2 1668/4885APP 1507/4885

“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.