SCHEMBL5950249

SCHEMBL5950249

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1c(Cl)cc(Cl)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
P2RX1 P51575 4/20 0.49
P2RX4 Q99571 3/20 0.49
P2RX7 Q99572 3/20 0.49
TMPRSS4 Q9NRS4 3/20 0.49
KDR P35968 2/20 0.49
IKBKB O14920 1/20 0.49
CHUK O15111 1/20 0.49
FLT3 P36888 1/20 0.49
MYLK Q15746 1/20 0.49
MAP4K5 Q9Y4K4 1/20 0.49
MAPT P10636 2/20 0.49
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
XPO1 O14980 1/20 0.43
JUN P05412 1/20 0.43

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
SCHEMBL5950206 0.93 XPO1 (0.47) GRIK1MEN1KMT2AP2RX1P2RX4
SCHEMBL11001119 0.89 MAPT (0.57) MEN1KMT2AP2RX1P2RX4P2RX7
SCHEMBL5950237 0.84 DHODH (0.57) GRIK1MEN1KMT2AP2RX1P2RX4
SCHEMBL5950625 0.82 GRIK1 (0.46) GRIK1MEN1KMT2AP2RX1P2RX4
SCHEMBL5595068 0.81 AKR1C4 (0.53) GRIK1MEN1KMT2AMAPTCA12
SCHEMBL5950453 0.81 KDR (0.68) TMPRSS4KDRCA1CA2CA9
SCHEMBL5950012 0.80 KDR (0.56) GRIK1TMPRSS4KDRFLT3CA1
SCHEMBL5950385 0.77 SLC2A1 (0.62) MEN1KMT2AMAPTCA2LMNA
SCHEMBL1463260 0.76 GRIK1 (0.81) GRIK1MEN1KMT2AP2RX1P2RX4
SCHEMBL2681462 0.76 MAPT (0.78) MEN1KMT2AP2RX1P2RX4P2RX7

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160856-A1 Diarylurea derivatives and their use as chloride channel blockers NEUROSEARCH A/S (DK) 2006-07-20 US claimed
JP-2005538152-A 2005-12-15 JP claimed
EP-1537075-A2 DIARYLUREA DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 2005-06-08 EP claimed
WO-2004022529-A2 DIARYLUREA DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 2004-03-18 WO claimed
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 GRIK1 3295/4885MEN1 1915/4885KMT2A 774/4885

“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.