SCHEMBL4120234

SCHEMBL4120234

CCN(CC)CCN(CCNC(=O)Nc1cccc2ccccc12)C(=O)Nc1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.53
▸ KMT2A Q03164 5/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ KDM4E B2RXH2 7/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ GAA P10253 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ NOX1 Q9Y5S8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ GSK3B P49841 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ AURKA O14965 1/20 0.42

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
SCHEMBL4108277 0.90 EPHX1 (0.52) EPHX1KMT2AMEN1NPC1KDM4E
SCHEMBL4111612 0.88 MCHR1 (0.51) EPHX1KMT2AMEN1NPC1KDM4E
SCHEMBL4123782 0.78 MCHR1 (0.47) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL4129513 0.78 EPHX1 (0.49) EPHX1KMT2AMEN1NPC1KDM4E
SCHEMBL4118978 0.74 GAA (0.59) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL4112255 0.74 POLB (0.52) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL4115223 0.74 FPR3 (0.46) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL11049554 0.73 MAPT (0.77) KMT2AMEN1NPC1KDM4ERAB9A
SCHEMBL4115328 0.73 MCHR1 (0.61) EPHX1KMT2AMEN1RAB9AALDH1A1
SCHEMBL4119011 0.73 MCHR1 (0.58) KMT2AMEN1NPC1RAB9AMCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 EPHX1 3766/4885KMT2A 2720/4885MEN1 4167/4885

“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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