SCHEMBL4118998

SCHEMBL4118998

O=C(NCCN(Cc1ccc(Cl)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1)Nc1ccc(Br)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 8/20 0.61
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ LMNA P02545 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MTOR P42345 4/20 0.46
▸ LSS P48449 1/20 0.44
▸ UTS2R Q9UKP6 1/20 0.44
▸ CCR1 P32246 1/20 0.43

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
SCHEMBL4117599 0.95 CNR1 (0.67) CNR1MEN1KMT2ALMNACYP1A2
SCHEMBL4113873 0.95 CNR1 (0.67) CNR1MEN1KMT2ALMNACYP1A2
SCHEMBL4108817 0.90 MEN1 (0.50) CNR1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL4114216 0.84 MEN1 (0.55) CNR1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL4124108 0.84 MTOR (0.61) CNR1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL4117727 0.81 CNR1 (0.60) CNR1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4119232 0.81 CNR1 (0.50) CNR1MEN1KMT2ALMNACYP1A2
SCHEMBL5705917 0.80 CNR1 (0.57) CNR1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL5706025 0.80 CNR1 (0.57) CNR1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL4106129 0.80 CNR1 (0.57) CNR1MEN1KMT2ALMNASMN1; SMN2

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 3201/4885MEN1 4167/4885KMT2A 2720/4885

“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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