SCHEMBL4126336

SCHEMBL4126336

O=C(NCCN(CCN1CCCC1)C(=O)Nc1ccc(Br)cc1)Nc1cc(Cl)nc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.50
▸ TNIK Q9UKE5 1/20 0.46
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ HTR3A P46098 2/20 0.43
▸ MAPT P10636 3/20 0.43
▸ FPR3 P25089 2/20 0.42
▸ FPR2 P25090 2/20 0.42
▸ PKM P14618 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ CHRNA7 P36544 1/20 0.41

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
SCHEMBL4107614 0.84 CNR1 (0.71) CNR1MEN1KMT2APOLBMAPT
SCHEMBL4123782 0.82 MCHR1 (0.47) CNR1MEN1KMT2AMAPTFPR3
SCHEMBL4115004 0.78 CNR1 (0.59) CNR1MEN1KMT2APOLBMAPT
SCHEMBL4107606 0.78 FPR3 (0.46) TNIKFPR3FPR2L3MBTL1
SCHEMBL4118371 0.77 EPHX2 (0.54) CNR1MEN1KMT2AHTR3AMAPT
SCHEMBL4123912 0.77 EPHX2 (0.61) CNR1MEN1KMT2APOLBHTR3A
SCHEMBL4107145 0.77 CNR1 (0.60) CNR1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4113123 0.77 CNR1 (0.60) CNR1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4112231 0.76 CNR1 (0.59) CNR1MEN1KMT2APOLBMAPT
SCHEMBL7510422 0.76 MAPT (0.67) CNR1TNIKMEN1KMT2APOLB

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 CNR1 3201/4885TNIK 392/4885MEN1 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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