SCHEMBL5950442

SCHEMBL5950442

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC(C(=O)O)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.50
TACR1 P25103 3/20 0.49
MAPT P10636 3/20 0.49
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
P2RX1 P51575 2/20 0.47
TMPRSS4 Q9NRS4 1/20 0.47
FPR2 P25090 1/20 0.46
ACP1 P24666 1/20 0.44
PTPN7 P35236 1/20 0.44
PTPN12 Q05209 1/20 0.44
PTPN13 Q12923 1/20 0.44
SSU72 Q9NP77 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL5950037 0.83 SMN1; SMN2 (0.60) TACR1MAPTKDM4ESMN1; SMN2P2RX1
SCHEMBL5950236 0.81 MEN1 (0.49) MAPTKDM4ESMN1; SMN2FPR2MEN1
SCHEMBL31252452 0.77 ULK1 (0.56) ULK1TACR1MAPTKDM4ESMN1; SMN2
SCHEMBL6374689 0.77 CNR1 (0.59) SMN1; SMN2FPR2KMT2ATP53LMNA
SCHEMBL6374146 0.77 CNR1 (0.59) SMN1; SMN2FPR2KMT2ATP53LMNA
SCHEMBL5950200 0.75 MEN1 (0.58) MAPTFPR2MEN1KMT2ALMNA
SCHEMBL5950360 0.75 FPR2 (0.48) SMN1; SMN2FPR2MEN1KMT2ALMNA
SCHEMBL18620721 0.73 HSD17B10 (0.66) TACR1MAPTKDM4ESMN1; SMN2P2RX1
SCHEMBL2681462 0.73 MAPT (0.78) TACR1MAPTP2RX1ACP1MEN1
SCHEMBL2672092 0.72 HDAC3 (0.41) KDM4EMEN1KMT2AHTT

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 ULK1 3736/4885TACR1 399/4885MAPT 4510/4885

“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.