SCHEMBL4106984

SCHEMBL4106984

O=C(NCCN(CCN1CCCCC1)C(=O)Nc1ccc(C(F)(F)F)cc1)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 6/20 0.58
▸ CASR P41180 1/20 0.55
▸ MEN1 O00255 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ UBE2M P61081 3/20 0.49
▸ DCUN1D1 Q96GG9 3/20 0.49
▸ CCR3 P51677 1/20 0.49
▸ HRH3 Q9Y5N1 2/20 0.48
▸ HTR2A P28223 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ RAB9A P51151 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
SCHEMBL4118060 0.99 EPHX2 (0.59) EPHX2CASRMEN1POLBKMT2A
SCHEMBL4107357 0.96 CASR (0.58) EPHX2CASRMEN1POLBKMT2A
SCHEMBL4116411 0.93 CNR1 (0.54) EPHX2CASRMEN1KMT2AUBE2M
SCHEMBL4124304 0.93 MEN1 (0.58) EPHX2CASRMEN1POLBKMT2A
SCHEMBL4119717 0.92 EPHX2 (0.57) EPHX2CASRMEN1POLBKMT2A
SCHEMBL4123912 0.92 EPHX2 (0.61) EPHX2MEN1POLBKMT2ACCR3
SCHEMBL4111553 0.91 CASR (0.53) EPHX2CASRMEN1KMT2AUBE2M
SCHEMBL4115069 0.89 ALOX15 (0.52) EPHX2CASRMEN1POLBKMT2A
SCHEMBL4112231 0.88 CNR1 (0.59) EPHX2MEN1POLBKMT2AHRH3
SCHEMBL4107145 0.87 CNR1 (0.60) EPHX2MEN1KMT2ACCR3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118330-A1 Diurea derivatives ACTIVE BIOTECH AB (SE) 2009-05-07 — — US claimed
EP-1711175-A1 DIUREA DERIVATIVES Active Biotech AB (SE) 2006-10-18 — — EP claimed
WO-2005074919-A1 DIUREA DERIVATIVES ACTIVE BIOTECH AB (SE) 2005-08-18 — — WO claimed
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 1614/4885CASR 2199/4885MEN1 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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