SCHEMBL4116393

SCHEMBL4116393

COc1ccc(NC(=O)NCCN(CCN2CCCCC2)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.52
▸ HRH3 Q9Y5N1 5/20 0.50
▸ MAPT P10636 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ CCR3 P51677 3/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL4125793 0.99 EPHX2 (0.53) EPHX2HRH3MAPTALDH1A1ALOX15
SCHEMBL4123912 0.92 EPHX2 (0.61) EPHX2HRH3CCR3KCNH2POLB
SCHEMBL4124304 0.89 MEN1 (0.58) EPHX2HRH3CCR3POLB
SCHEMBL4112231 0.88 CNR1 (0.59) EPHX2HRH3MAPTSMN1; SMN2POLB
SCHEMBL4119717 0.88 EPHX2 (0.57) EPHX2HRH3CCR3KCNH2POLB
SCHEMBL4113123 0.87 CNR1 (0.60) EPHX2MAPTCCR3SMN1; SMN2
SCHEMBL4107145 0.87 CNR1 (0.60) EPHX2MAPTCCR3SMN1; SMN2
SCHEMBL4128123 0.86 EPHX2 (0.59) EPHX2HRH3MAPTCCR3POLB
SCHEMBL4112177 0.86 EPHX2 (0.59) EPHX2HRH3MAPTCCR3KCNH2
SCHEMBL4106984 0.85 EPHX2 (0.58) EPHX2HRH3CCR3POLB

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 1614/4885HRH3 1086/4885MAPT 1996/4885

“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