SCHEMBL4119717

SCHEMBL4119717

O=C(NCCN(CCN1CCCC1)C(=O)Nc1ccc(C(F)(F)F)cc1)Nc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 5/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ POLB P06746 1/20 0.57
▸ CCR3 P51677 2/20 0.54
▸ HTR3A P46098 2/20 0.50
▸ CASR P41180 1/20 0.50
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA7 P43166 1/20 0.49
▸ CNR1 P21554 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.46
▸ HRH3 Q9Y5N1 2/20 0.46
▸ KCNH2 Q12809 1/20 0.46

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
SCHEMBL4124304 0.99 MEN1 (0.58) EPHX2MEN1KMT2APOLBCCR3
SCHEMBL4123912 0.96 EPHX2 (0.61) EPHX2MEN1KMT2APOLBCCR3
SCHEMBL4118060 0.92 EPHX2 (0.59) EPHX2MEN1KMT2APOLBCCR3
SCHEMBL4106984 0.92 EPHX2 (0.58) EPHX2MEN1KMT2APOLBCCR3
SCHEMBL4113123 0.91 CNR1 (0.60) EPHX2MEN1KMT2ACCR3CA1
SCHEMBL4107145 0.91 CNR1 (0.60) EPHX2MEN1KMT2ACCR3CA1
SCHEMBL4112231 0.90 CNR1 (0.59) EPHX2MEN1KMT2APOLBCA1
SCHEMBL4128123 0.90 EPHX2 (0.59) EPHX2MEN1KMT2APOLBCCR3
SCHEMBL4112177 0.90 EPHX2 (0.59) EPHX2MEN1KMT2ACCR3HTR3A
SCHEMBL4125793 0.89 EPHX2 (0.53) EPHX2POLBCCR3HRH3KCNH2

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 EPHX2 1614/4885MEN1 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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