SCHEMBL6344241

SCHEMBL6344241

O=C(CN(C(=O)c1ccc2cc[nH]c2c1)c1ccccc1Cl)N1CCC(Nc2ccccn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NOS2 P35228 3/20 0.42
JUN P05412 1/20 0.40
CDK2 P24941 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
SYK P43405 2/20 0.40
GHSR Q92847 5/20 0.39
MAPK14 Q16539 3/20 0.39
SMO Q99835 1/20 0.39
KDM5A P29375 1/20 0.38
F10 P00742 1/20 0.36
SMYD3 Q9H7B4 1/20 0.36
NOS1 P29475 2/20 0.36
NOS3 P29474 1/20 0.36

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
SCHEMBL6345731 0.89 MAPK14 (0.41) KDM4EPOLBMAPK1SMN1; SMN2JUN
SCHEMBL6344171 0.89 KDM4E (0.45) KDM4EPOLBMAPK1SMN1; SMN2NOS2
Hydrochloric Acid SCHEMBL6341867 0.88 KDM4E (0.45) KDM4EPOLBMAPK1SMN1; SMN2NOS2
SCHEMBL6354909 0.82 EPHX2 (0.41) KDM4EPOLBMAPK1SMN1; SMN2GHSR
SCHEMBL4841765 0.81 F10 (0.53) KDM4EGHSRMAPK14F10
Hydrochloric Acid SCHEMBL6353223 0.81 EPHX2 (0.41) KDM4EPOLBMAPK1SMN1; SMN2GHSR
Hydrochloric Acid SCHEMBL4832916 0.81 F10 (0.52) KDM4EGHSRMAPK14F10
SCHEMBL6420686 0.80 ACHE (0.43) KDM4EPOLBMAPK1SMN1; SMN2GHSR
SCHEMBL4837480 0.78 MAPK14 (0.45) KDM4EPOLBGHSRMAPK14
Hydrochloric Acid SCHEMBL6344841 0.78 SIGLEC9 (0.42) KDM4EPOLBMAPK1SMN1; SMN2JUN

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 4 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
US-20030078438-A1 Serine protease inhibitors ELI LILLY AND COMPANY 2003-04-24 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 (2 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-20030078438-A1 Serine protease inhibitors HPN, LPXN, PRSS1 KDM4E 3167/4885POLB 4589/4885MAPK1 3481/4885
US-20040242656-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 KDM4E 3503/4885POLB 4543/4885MAPK1 1881/4885

“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.