SCHEMBL4118355

SCHEMBL4118355

CCN(CC)c1ccc(NC(=O)N(CCNC(=O)Nc2ccc(C(F)(F)F)cc2)CCN(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.55
▸ KMT2A Q03164 5/20 0.55
▸ MCHR1 Q99705 2/20 0.52
▸ NOX1 Q9Y5S8 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ CNR1 P21554 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ POLB P06746 2/20 0.43
▸ UTS2R Q9UKP6 2/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ MTOR P42345 3/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ NAMPT P43490 2/20 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
SCHEMBL4112186 0.92 MEN1 (0.60) MEN1KMT2AMCHR1CNR1HTT
SCHEMBL4107405 0.92 MCHR1 (0.60) MEN1KMT2AMCHR1NOX1NPC1
SCHEMBL4124673 0.91 MEN1 (0.54) MEN1KMT2AMCHR1NOX1NPC1
SCHEMBL4107298 0.88 MEN1 (0.55) MEN1KMT2AMCHR1NPC1RAB9A
SCHEMBL4117727 0.87 CNR1 (0.60) MEN1KMT2AMCHR1CNR1HTT
SCHEMBL4118376 0.86 MCHR1 (0.66) MEN1KMT2AMCHR1ALDH1A1THRB
SCHEMBL4119675 0.85 MEN1 (0.52) MEN1KMT2AMCHR1CNR1
SCHEMBL4119938 0.84 TP53 (0.54) MEN1KMT2AMCHR1RAB9AKDM4E
SCHEMBL4114249 0.82 MCHR1 (0.59) MEN1KMT2AMCHR1NOX1NPC1
SCHEMBL4115328 0.82 MCHR1 (0.61) MEN1KMT2AMCHR1RAB9AALDH1A1

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 MEN1 4167/4885KMT2A 2720/4885MCHR1 4128/4885

“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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