SCHEMBL4023879

SCHEMBL4023879

COC(=O)/C=C/c1ccc(N)c(C#N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.54
APP P05067 1/20 0.54
PTPN1 P18031 1/20 0.51
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
FDPS P14324 1/20 0.50
CA12 O43570 1/20 0.50
TYR P14679 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
EPHX2 P34913 1/20 0.50
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
JAK2 O60674 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
NFE2L2 Q16236 1/20 0.42

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
SCHEMBL4023881 1.00 TTR (0.54) TTRAPPPTPN1CA1CA2
SCHEMBL6185336 0.86 MET (0.43) TTRAPPPTPN1CA1CA2
SCHEMBL6185338 0.86 MET (0.43) TTRAPPPTPN1CA1CA2
SCHEMBL19538090 0.84 APP (0.68) TTRAPPPTPN1CA1CA2
SCHEMBL29010765 0.83 TTR (0.54) TTRAPPPTPN1CA1CA2
SCHEMBL7454429 0.83 TTR (0.54) TTRAPPPTPN1CA1CA2
SCHEMBL29388506 0.83 TTR (0.54) TTRAPPPTPN1CA1CA2
SCHEMBL7454427 0.83 TTR (0.54) TTRAPPPTPN1CA1CA2
SCHEMBL5225706 0.82 TTR (0.63) TTRAPPPTPN1CA1CA2
SCHEMBL3726391 0.81 PTPN1 (0.56) APPPTPN1ALDH1A1KDM4ESMN1; 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 6 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
US-5880284-A HAVING ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASES-INHIBITING EFFECTS DR. KARL THOMAE GMBH (DE) 1999-03-09 US disclosed
US-5681841-A PREVENTION CELL AGGREGATION KARL THOMAE GMBH (DE) 1997-10-28 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 TTR 4432/4885APP 1507/4885PTPN1 2864/4885

“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.