SCHEMBL4019017

SCHEMBL4019017

O=C(Nc1cc(Cl)nc(Cl)c1)Nc1ccc(Br)cc1-c1nnn[nH]1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 2/20 0.47
KMT2A Q03164 5/20 0.44
GRIK1 P39086 3/20 0.41
MEN1 O00255 4/20 0.41
HTT P42858 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 4/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
GPR35 Q9HC97 6/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KCNMA1 Q12791 1/20 0.37

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
SCHEMBL1463395 0.90 KMT2A (0.45) KMT2AGRIK1MEN1HTTKDM4E
SCHEMBL1463507 0.87 KMT2A (0.45) KMT2AGRIK1MEN1HTTKDM4E
SCHEMBL1463373 0.86 KMT2A (0.58) KMT2AGRIK1MEN1HTTKDM4E
SCHEMBL1462305 0.85 ALDH1A1 (0.43) KMT2AMEN1HTTKDM4EMAPK1
SCHEMBL1464054 0.85 KMT2A (0.51) KMT2AMEN1HTTKDM4EMAPK1
SCHEMBL1463359 0.85 KMT2A (0.58) KMT2AGRIK1MEN1HTTKDM4E
SCHEMBL1463540 0.84 GRIK1 (0.50) KMT2AGRIK1MEN1HTTKDM4E
SCHEMBL1463473 0.83 KMT2A (0.46) KMT2AMEN1LMNAMAPTNPC1
SCHEMBL1463494 0.83 KMT2A (0.55) KMT2AGRIK1MEN1HTTLMNA
Emidurdar SCHEMBL1463101 0.83 KCNMA1 (0.54) GRIK1LMNAMAPTNPC1RAB9A

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 claimed
US-20060160856-A1 Diarylurea derivatives and their use as chloride channel blockers NEUROSEARCH A/S (DK) 2006-07-20 US claimed
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

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 S1PR2 180/4885KMT2A 774/4885GRIK1 3295/4885

“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.