SCHEMBL6354907

SCHEMBL6354907

O=C(CN(C(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccccn1)N1CCC(Oc2ccccn2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
F10 P00742 7/20 0.38
KDM5A P29375 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
BTK Q06187 1/20 0.36
JUN P05412 1/20 0.36
CDK2 P24941 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
SCD O00767 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
AVPR1A P37288 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PLAT P00750 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
SCHEMBL6344306 0.92 EPHX2 (0.40) EPHX2F10KDM5ABTKJUN
SCHEMBL6343706 0.91 EPHX2 (0.40) EPHX2F10GAAHTTNPSR1
SCHEMBL6353524 0.91 KDM5A (0.39) EPHX2F10KDM5AGAAHTT
SCHEMBL6346040 0.85 KDM4E (0.43) EPHX2KDM5AGAAHTTNPSR1
Hydrochloric Acid SCHEMBL6344568 0.81 CDK2 (0.42) EPHX2F10BTKJUNCDK2
SCHEMBL6346782 0.81 CYP3A4 (0.39) EPHX2F10GAASCDALDH1A1
SCHEMBL6354869 0.80 EPHX2 (0.41) EPHX2F10SCDPLATKLKB1
SCHEMBL6347285 0.80 POLB (0.51) EPHX2ALDH1A1TRPM8
Hydrochloric Acid SCHEMBL4832390 0.79 THRB (0.42) TDP1
SCHEMBL6347278 0.78 SPR (0.42) EPHX2F10HTTJUNCDK2

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-6878725-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-04-12 US disclosed
US-20040242656-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-12-02 US disclosed
EP-1289950-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2004-09-08 EP 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-20040242656-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 EPHX2 1576/4885F10 60/4885KDM5A 3475/4885

“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.