SCHEMBL4124304

SCHEMBL4124304

O=C(NCCN(CCN1CCCCC1)C(=O)Nc1ccc(C(F)(F)F)cc1)Nc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ POLB P06746 1/20 0.58
▸ EPHX2 P34913 5/20 0.56
▸ CCR3 P51677 2/20 0.53
▸ HTR3A P46098 3/20 0.52
▸ CASR P41180 1/20 0.49
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA7 P43166 1/20 0.48
▸ CNR1 P21554 1/20 0.47
▸ HRH3 Q9Y5N1 2/20 0.47

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
SCHEMBL4119717 0.99 EPHX2 (0.57) MEN1KMT2APOLBEPHX2CCR3
SCHEMBL4123912 0.95 EPHX2 (0.61) MEN1KMT2APOLBEPHX2CCR3
SCHEMBL4106984 0.93 EPHX2 (0.58) MEN1KMT2APOLBEPHX2CCR3
SCHEMBL4118060 0.92 EPHX2 (0.59) MEN1KMT2APOLBEPHX2CCR3
SCHEMBL4112231 0.91 CNR1 (0.59) MEN1KMT2APOLBEPHX2CA1
SCHEMBL4113123 0.90 CNR1 (0.60) MEN1KMT2AEPHX2CCR3CA1
SCHEMBL4107145 0.90 CNR1 (0.60) MEN1KMT2AEPHX2CCR3CA1
SCHEMBL4112177 0.89 EPHX2 (0.59) MEN1KMT2AEPHX2CCR3HTR3A
SCHEMBL4128123 0.89 EPHX2 (0.59) MEN1KMT2APOLBEPHX2CCR3
SCHEMBL4116393 0.89 EPHX2 (0.52) POLBEPHX2CCR3HRH3

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 2720/4885POLB 2764/4885

“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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