SCHEMBL19631087

SCHEMBL19631087

O=Cc1ccc(N2C3CC[C@@H]2CC(Oc2ccc(OC(F)(F)F)cc2)C3)nc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.44
FAAH O00519 3/20 0.44
ACACB O00763 3/20 0.35
FPR2 P25090 2/20 0.35
PROKR1 Q8TCW9 2/20 0.35
NAAA Q02083 2/20 0.34
PDE9A O76083 1/20 0.34
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KCNJ1 P48048 1/20 0.33
MMP12 P39900 1/20 0.33
MMP13 P45452 1/20 0.33
MMP14 P50281 1/20 0.33
KCNH2 Q12809 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL17832291 1.00 EPHX2 (0.44) EPHX2FAAHACACBFPR2PROKR1
SCHEMBL17832267 0.87 EPHX2 (0.43) EPHX2FAAHFPR2PROKR1NAAA
SCHEMBL17832235 0.82 FAAH (0.47) EPHX2FAAHACACBFPR2PROKR1
SCHEMBL17832250 0.80 ACACB (0.51) ACACBPDE3BPDE3A
SCHEMBL17832260 0.75 EPHX2 (0.47) EPHX2FAAHACACBFPR2PROKR1
SCHEMBL19627313 0.75 HDAC1 (0.39)
SCHEMBL17832239 0.74 ACACB (0.39) EPHX2FAAHACACBKCNH2PDE3B
SCHEMBL19627316 0.73 PDE3B (0.48) EPHX2FAAHACACBKCNH2PDE3B
SCHEMBL17832244 0.73 LCAT (0.44) EPHX2FAAHKCNH2
SCHEMBL17832319 0.72 BCHE (0.44) ALDH1A1

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-20170334927-A1 Nitroimidazole Compound, Preparation Method Therefor And Use Thereof In Drug Manufacturing SHANGHAI SUN-SAIL PHARMACEUTICAL SCIENCE & TECHNOLOGY CO., LTD. (CN) 2017-11-23 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-20170334927-A1 Nitroimidazole Compound, Preparation Method Therefor And Use Thereof In Drug Manufacturing NISCH, CYP51A1, CYP4F11 EPHX2 4231/4885FAAH 3536/4885ACACB 3547/4885

“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.