SCHEMBL5950293

SCHEMBL5950293

O=C(O)C1CCCN1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.63
▸ KMT2A Q03164 3/20 0.61
▸ THRB P10828 1/20 0.61
▸ ALOX12 P18054 1/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ KDR P35968 1/20 0.53
▸ TSHR P16473 2/20 0.53
▸ SLC6A3 Q01959 1/20 0.53
▸ CCR2 P41597 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ GRIN2B Q13224 2/20 0.52
▸ RECQL P46063 1/20 0.52
▸ PDK1 Q15118 1/20 0.49
▸ EPHX2 P34913 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ HCRTR1 O43613 1/20 0.48
▸ HCRTR2 O43614 1/20 0.48
▸ ITGB3 P05106 1/20 0.47
▸ ITGB1 P05556 1/20 0.47

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
SCHEMBL31188319 0.85 KMT2A (0.66) MAPTKMT2ATHRBALOX12NPSR1
SCHEMBL31664912 0.84 MAPT (0.53) MAPTKMT2ATHRBALOX12SMN1; SMN2
SCHEMBL5950250 0.81 MAPT (0.59) MAPTKMT2ASMN1; SMN2NPSR1KDR
SCHEMBL31188337 0.81 THRB (0.74) KMT2ATHRBALOX12ITGB3ITGB1
SCHEMBL4190364 0.79 THRB (0.75) KMT2ATHRBALOX12ITGB3ITGB1
SCHEMBL20446598 0.79 THRB (0.75) KMT2ATHRBALOX12ITGB3ITGB1
SCHEMBL5734080 0.79 THRB (0.75) KMT2ATHRBALOX12ITGB3ITGB1
SCHEMBL5097404 0.77 ALDH1A1 (0.66) MAPTKMT2ATHRBALOX12SMN1; SMN2
SCHEMBL29639985 0.77 NPC1 (0.63) MAPTKMT2ASMN1; SMN2NPSR1TSHR
SCHEMBL5949984 0.76 KMT2A (0.63) MAPTKMT2ATHRBALOX12NPSR1

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 MAPT 4510/4885KMT2A 774/4885THRB 2764/4885

“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.

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