SCHEMBL5950145

SCHEMBL5950145

O=C(Nc1cccc(Br)c1)NC1CCCCC1C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK2 P25098 1/20 0.70
CASP6 P55212 1/20 0.70
CASP8 Q14790 1/20 0.70
CTDSP1 Q9GZU7 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
HCRTR1 O43613 1/20 0.52
HCRTR2 O43614 1/20 0.52
APEX1 P27695 1/20 0.49
RAB9A P51151 7/20 0.47
NPC1 O15118 6/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
EPHX1 P07099 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
EPHX2 P34913 2/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.46

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
SCHEMBL5950203 0.84 KMT2A (0.67) GRK2CASP6CASP8CTDSP1TDP1
SCHEMBL23509616 0.83 RAB9A (0.64) GRK2CASP6CASP8CTDSP1TDP1
SCHEMBL19473756 0.83 RAB9A (0.64) GRK2CASP6CASP8CTDSP1TDP1
SCHEMBL19473737 0.83 RAB9A (0.64) GRK2CASP6CASP8CTDSP1TDP1
SCHEMBL6083625 0.83 PKM (0.68) TDP1APEX1RAB9ANPC1MEN1
SCHEMBL19473738 0.82 RAB9A (0.67) RAB9ANPC1MEN1KMT2AEPHX1
SCHEMBL23509611 0.82 RAB9A (0.67) RAB9ANPC1MEN1KMT2AEPHX1
SCHEMBL19473762 0.81 KMT2A (0.60) HCRTR1HCRTR2RAB9ANPC1MEN1
SCHEMBL11929841 0.79 RAB9A (0.58) GRK2CASP6CASP8CTDSP1TDP1
SCHEMBL19473763 0.75 EPHX1 (0.51) RAB9ANPC1MEN1KMT2AEPHX1

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
US-20060160856-A1 Diarylurea derivatives and their use as chloride channel blockers NEUROSEARCH A/S (DK) 2006-07-20 US 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 GRK2 1009/4885CASP6 2550/4885CASP8 2814/4885

“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.