SCHEMBL5058995

SCHEMBL5058995

O=C(Cl)c1ccc(-c2ncco2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM4 Q8TD43 1/20 0.48
BRD4 O60885 1/20 0.44
FAAH O00519 1/20 0.39
EPHX2 P34913 1/20 0.39
ACLY P53396 1/20 0.39
LTA4H P09960 4/20 0.39
KMO O15229 2/20 0.39
HDAC4 P56524 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
GLRA3 O75311 1/20 0.36
GLRB P48167 1/20 0.36
HPGDS O60760 1/20 0.36
XDH P47989 1/20 0.36
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
IL2 P60568 1/20 0.34
KIF18A Q8NI77 1/20 0.34
KDM5A P29375 1/20 0.34

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
SCHEMBL5058922 0.89 TRPM4 (0.55) TRPM4BRD4ACLYLTA4HKMO
SCHEMBL5063409 0.83 TRPM4 (0.50) TRPM4BRD4ACLYLTA4HHDAC4
SCHEMBL18016065 0.76 LTA4H (0.47) BRD4FAAHEPHX2LTA4HHDAC4
SCHEMBL6499200 0.74 NPC1 (0.50) TRPM4BRD4LTA4HKMOHPGDS
SCHEMBL6433748 0.74 HPGDS (0.47) TRPM4BRD4LTA4HKMOHDAC4
SCHEMBL3375921 0.74 BRD4 (0.48) TRPM4BRD4LTA4HHDAC4GLRA3
SCHEMBL11523963 0.74 NOTUM (0.43) MKNK1MKNK2XDHTSHRCASP1
SCHEMBL5063437 0.74 PDE4B (0.41) XDHKIF18A
SCHEMBL14130162 0.74 P2RY12 (0.41) MKNK1MKNK2XDHKIF18A
SCHEMBL9430816 0.73 BRD4 (0.56) TRPM4BRD4LTA4HHDAC4MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080161294-A1 Urea derivative, medicinal composition containing the same, and medicinal use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-07-03 US disclosed
EP-1867639-A1 UREA DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2007-12-19 EP 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-20080161294-A1 Urea derivative, medicinal composition containing the same, and medicinal use of these AVPR2, UTS2R, GPR119 TRPM4 1583/4885BRD4 3326/4885FAAH 356/4885

“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.