SCHEMBL17486583

SCHEMBL17486583

Cc1[nH]c(NC(=O)Nc2ccccc2OCF)nc(=O)c1CC(=O)N1CCN(CCCN)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL14086 0.90 SMN1; SMN2 (0.38) EPHX2SMN1; SMN2PDGFRBKDRALDH1A1
SCHEMBL17354192 0.89 KMT2A (0.45) EPHX2KMT2ASIGMAR1
SCHEMBL17486582 0.85 EPHX2 (0.38) EPHX2SMN1; SMN2ALDH1A1SIGMAR1
SCHEMBL17486549 0.80 ADRA1A (0.39) EPHX2KMT2A
SCHEMBL17486548 0.78 EPHX2 (0.38) EPHX2SMN1; SMN2ALDH1A1KMT2A
SCHEMBL17354470 0.77 MAPT (0.39) EPHX2PDGFRBKDR
SCHEMBL17354347 0.75 KMT2A (0.44) EPHX2ALDH1A1KMT2ASIGMAR1
SCHEMBL17486578 0.75 CHRM3 (0.40) EPHX2
SCHEMBL14268 0.75 SIGMAR1 (0.37) EPHX2SMN1; SMN2ALDH1A1SIGMAR1
SCHEMBL17354496 0.73 SLC6A4 (0.43) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2016-02-04 US 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-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT EPHX2 3041/4885SMN1; SMN2 3979/4885PDGFRB 4833/4885

“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.