SCHEMBL4107371

SCHEMBL4107371

CCN(CC)c1ccc(NC(=O)N(S)CCN(CCN2CCCC2)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ DNMT1 P26358 1/20 0.40
▸ EHMT2 Q96KQ7 1/20 0.40
▸ CASR P41180 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ALOX12 P18054 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HRH3 Q9Y5N1 4/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ GAA P10253 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL5706056 0.85 MCHR1 (0.48) EPHX2L3MBTL1KDM4EALDH1A1MAPT
SCHEMBL4107368 0.84 EPHX2 (0.47) EPHX2L3MBTL1KDM4EALDH1A1TSHR
SCHEMBL4111628 0.80 EPHX2 (0.53) EPHX2DNMT1EHMT2CASRKDM4E
SCHEMBL4108251 0.78 EPHX2 (0.52) EPHX2KDM4EALDH1A1HRH3MAPT
SCHEMBL4123912 0.77 EPHX2 (0.61) EPHX2HRH3MEN1KMT2AKCNH2
SCHEMBL4128123 0.75 EPHX2 (0.59) EPHX2HRH3MAPTMEN1KMT2A
SCHEMBL4114315 0.74 EPHX2 (0.50) EPHX2CASRKDM4EALDH1A1TSHR
SCHEMBL4119717 0.74 EPHX2 (0.57) EPHX2CASRHRH3MEN1KMT2A
SCHEMBL4124304 0.73 MEN1 (0.58) EPHX2CASRHRH3MEN1KMT2A
SCHEMBL4107145 0.73 CNR1 (0.60) EPHX2MAPTMEN1KMT2A

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 1614/4885L3MBTL1 3415/4885DNMT1 3607/4885

“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.

Send feedback