SCHEMBL4123782

SCHEMBL4123782

CCN(CC)CCN(CCNC(=O)Nc1cc(Cl)nc(Cl)c1)C(=O)Nc1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 5/20 0.47
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ CNR1 P21554 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ATM Q13315 1/20 0.41
▸ FPR2 P25090 5/20 0.41
▸ FPR3 P25089 4/20 0.41
▸ S1PR2 O95136 1/20 0.39
▸ EPHX2 P34913 1/20 0.38

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
SCHEMBL4118978 0.83 GAA (0.59) MCHR1NPC1RAB9ACNR1MEN1
SCHEMBL4126336 0.82 CNR1 (0.50) CNR1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4120234 0.78 EPHX1 (0.53) MCHR1NPC1RAB9AMEN1KMT2A
SCHEMBL4112255 0.78 POLB (0.52) MCHR1NPC1RAB9ACNR1MEN1
SCHEMBL4115223 0.77 FPR3 (0.46) MCHR1NPC1RAB9AMEN1KMT2A
SCHEMBL4119011 0.76 MCHR1 (0.58) MCHR1NPC1RAB9ACNR1MEN1
SCHEMBL4119645 0.76 MCHR1 (0.60) MCHR1CNR1MEN1KMT2AGAA
SCHEMBL4118376 0.76 MCHR1 (0.66) MCHR1CNR1MEN1KMT2ASMN1; SMN2
SCHEMBL4125608 0.73 MEN1 (0.61) NPC1RAB9ACNR1MEN1KMT2A
SCHEMBL4129057 0.72 KMT2A (0.46) MCHR1NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118330-A1 Diurea derivatives ACTIVE BIOTECH AB (SE) 2009-05-07 — — US claimed
EP-1711175-A1 DIUREA DERIVATIVES Active Biotech AB (SE) 2006-10-18 — — EP claimed
WO-2005074919-A1 DIUREA DERIVATIVES ACTIVE BIOTECH AB (SE) 2005-08-18 — — WO claimed
US-20090118330-A1 Diurea derivatives ACTIVE BIOTECH AB (SE) 2009-05-07 — — US disclosed
EP-1711175-A1 DIUREA DERIVATIVES Active Biotech AB (SE) 2006-10-18 — — EP disclosed
WO-2005074919-A1 DIUREA DERIVATIVES ACTIVE BIOTECH AB (SE) 2005-08-18 — — 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-20090118330-A1 Diurea derivatives IL2, CASP2, MAVS MCHR1 4128/4885NPC1 4607/4885RAB9A 3798/4885

“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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