SCHEMBL4022759

SCHEMBL4022759

CN(CC(=O)O)C(=O)c1ccc(B(O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.40
PREP P48147 1/20 0.40
FAP Q12884 1/20 0.40
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
F2 P00734 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
LPL P06858 2/20 0.37
LIPG Q9Y5X9 2/20 0.37
TRPV1 Q8NER1 4/20 0.37
PIN1 Q13526 1/20 0.37
CA2 P00918 1/20 0.36

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
SCHEMBL11107022 0.87 HDAC1 (0.45) ITGB3ITGA2BHDAC1HDAC6MEN1
SCHEMBL490705 0.82 LPL (0.44) LPLLIPGTRPV1CA2
SCHEMBL12302105 0.80 KMT2A (0.48) MEN1KMT2A
SCHEMBL2282162 0.80 KMT2A (0.53) DPP4PREPFAPF2HDAC1
SCHEMBL26699702 0.79 NAMPT (0.46) HDAC6LPLLIPGCA2
SCHEMBL28504646 0.79 HDAC4 (0.46) HDAC1HDAC6LPLLIPG
SCHEMBL257636 0.79 KMT2A (0.62) HDAC1HDAC6MEN1KMT2A
SCHEMBL24722155 0.79 MAPT (0.44) ITGB3ITGA2BHDAC1HDAC6PIN1
SCHEMBL4223718 0.79 P2RX7 (0.51)
Hydrochloric Acid SCHEMBL1372985 0.78 KMT2A (0.51) DPP4PREPFAPF2HDAC1

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
CN-100497302-C Diarylurea derivatives and their use as chloride channel blockers NEUROSEARCH AS (DK) 2009-06-10 CN disclosed
US-20060160856-A1 Diarylurea derivatives and their use as chloride channel blockers NEUROSEARCH A/S (DK) 2006-07-20 US disclosed
CN-1678573-A Diaryl urea derivatives and their use as chlorine channel blockers NEUROSEARCH AS (DK) 2005-10-05 CN 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 DPP4 1592/4885PREP 1731/4885FAP 726/4885

“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.