SCHEMBL4025927

SCHEMBL4025927

O=C(O)c1[c]ccc(-c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 4/20 0.48
HNF4A P41235 2/20 0.48
DHFR P00374 1/20 0.48
MCL1 Q07820 1/20 0.48
KMO O15229 1/20 0.47
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
MGLL Q99685 1/20 0.40
DHODH Q02127 2/20 0.40
DCLRE1A Q6PJP8 1/20 0.40
DCLRE1B Q9H816 1/20 0.40
HDAC8 Q9BY41 2/20 0.39
EGFR P00533 1/20 0.39
BCL2 P10415 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL4105595 0.86 IKBKB (0.49) ACMSDHNF4ADHFRMCL1KMO
SCHEMBL5238356 0.80 EGFR (0.48) EGFR
SCHEMBL27545185 0.77 PRSS1 (0.52) ACMSDHNF4ADHFRMCL1DHODH
SCHEMBL5857066 0.72 KDM4E (0.42) KMO
SCHEMBL3990520 0.72 ALOX5 (0.46) ACMSDHNF4ADHFRMCL1MGLL
SCHEMBL490251 0.72 KDM4E (0.42) KMO
SCHEMBL15067523 0.72 ALDH1A1 (0.45) ACMSDHNF4ADHFRMCL1KMO
SCHEMBL1809 0.72
SCHEMBL767180 0.71 TSHR (0.42) MCL1
SCHEMBL3735378 0.71 CSNK2A1 (0.41)

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 4 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
EP-1537075-A2 DIARYLUREA DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 2005-06-08 EP disclosed
WO-2004022529-A2 DIARYLUREA DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 2004-03-18 WO 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 ACMSD 1808/4885HNF4A 2445/4885DHFR 2025/4885

“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.