SCHEMBL4021497

SCHEMBL4021497

COC(=O)C=Cc1ccc(N)c(-c2nnn[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.46
APP P05067 1/20 0.46
PTPN1 P18031 1/20 0.44
EPHX2 P34913 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
TYR P14679 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
KDM4E B2RXH2 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
JAK2 O60674 1/20 0.42
GAA P10253 1/20 0.42
FDPS P14324 1/20 0.41
IP6K1 Q92551 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
SCHEMBL4021494 1.00 TTR (0.46) TTRAPPPTPN1EPHX2CA12
SCHEMBL4026316 0.86 PELI1 (0.39) IP6K1IP6K3IP6K2
SCHEMBL4026319 0.86 PELI1 (0.39) IP6K1IP6K3IP6K2
SCHEMBL4029918 0.83 IP6K1 (0.38) APPSMN1; SMN2IP6K1IP6K2RELA
SCHEMBL4029915 0.83 IP6K1 (0.38) APPSMN1; SMN2IP6K1IP6K2RELA
SCHEMBL5225706 0.74 TTR (0.63) TTRAPPPTPN1EPHX2CA12
SCHEMBL1463030 0.74 CCNB2 (0.40) TTRAPPKDM4EMAPTALDH1A1
SCHEMBL3634339 0.74 MAPT (0.39) TTRAPPPTPN1CA12CA1
SCHEMBL6329460 0.72 APP (0.73) TTRAPPPTPN1EPHX2CA12
SCHEMBL6329457 0.72 APP (0.73) TTRAPPPTPN1EPHX2CA12

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 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.