SCHEMBL4125793

SCHEMBL4125793

COc1ccc(NC(=O)NCCN(CCN2CCCC2)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.53
▸ HRH3 Q9Y5N1 5/20 0.49
▸ LMNA P02545 2/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ CCR3 P51677 3/20 0.49
▸ POLB P06746 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ MAPT P10636 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ ALOX15 P16050 1/20 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
SCHEMBL4116393 0.99 EPHX2 (0.52) EPHX2HRH3LMNAKCNH2SMN1; SMN2
SCHEMBL4123912 0.92 EPHX2 (0.61) EPHX2HRH3KCNH2CCR3POLB
SCHEMBL4119717 0.89 EPHX2 (0.57) EPHX2HRH3KCNH2CCR3POLB
SCHEMBL4124304 0.88 MEN1 (0.58) EPHX2HRH3CCR3POLB
SCHEMBL4107145 0.88 CNR1 (0.60) EPHX2SMN1; SMN2CCR3MAPT
SCHEMBL4113123 0.88 CNR1 (0.60) EPHX2SMN1; SMN2CCR3MAPT
SCHEMBL4112231 0.87 CNR1 (0.59) EPHX2HRH3SMN1; SMN2POLBMAPT
SCHEMBL4128123 0.86 EPHX2 (0.59) EPHX2HRH3CCR3POLBMAPT
SCHEMBL4112177 0.86 EPHX2 (0.59) EPHX2HRH3KCNH2CCR3MAPT
SCHEMBL4118060 0.85 EPHX2 (0.59) 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 1086/4885LMNA 3428/4885

“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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