SCHEMBL4080491

SCHEMBL4080491

C[C@](O)(c1nnc(N)o1)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL25419135 0.79 KDM4E (0.37) KDM4ENPC1RAB9A
SCHEMBL2678474 0.73 KDM4E (0.44) KDM4ENPC1RAB9A
SCHEMBL14457366 0.72 KDM4E (0.33) KDM4ENPC1RAB9A
SCHEMBL15939849 0.70 CYP1A2 (0.30)
SCHEMBL14783831 0.70 CYP1A2 (0.30)
SCHEMBL15939976 0.70 CYP1A2 (0.30)
SCHEMBL4079377 0.69 KDM4E (0.32) KDM4ENPC1RAB9A
SCHEMBL4514941 0.64
SCHEMBL22743964 0.64
Hydrazinecarboxamide SCHEMBL22471913 0.63 LMNA (0.38) KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869031-B1 THIADIAZOLE SUBSTITUTED COUMARIN DERIVATIVES AND THEIR USE AS LEUKOTRIENE BIOSYNTHESIS INHIBITOR MERCK CANADA INC (CA) 2012-08-08 EP disclosed
EP-1869031-B1 THIADIAZOLE SUBSTITUTED COUMARIN DERIVATIVES AND THEIR USE AS LEUKOTRIENE BIOSYNTHESIS INHIBITOR MERCK CANADA INC (CA) 2012-08-08 EP disclosed
US-20090227638-A1 Novel Pharmaceutical Compounds BLOUIN MARC 2009-09-10 US disclosed
US-20090227638-A1 Novel Pharmaceutical Compounds BLOUIN MARC 2009-09-10 US disclosed
US-20090227638-A1 Novel Pharmaceutical Compounds BLOUIN MARC 2009-09-10 US disclosed
US-7553973-B2 Pharmaceutical compounds MERCK FROSST CANADA LTD. (CA) 2009-06-30 US disclosed
US-7553973-B2 Pharmaceutical compounds MERCK FROSST CANADA LTD. (CA) 2009-06-30 US disclosed
US-7553973-B2 Pharmaceutical compounds MERCK FROSST CANADA LTD. (CA) 2009-06-30 US disclosed
US-20090030048-A1 Novel pharmaceutical compounds BLOUIN MARC 2009-01-29 US disclosed
US-20090030048-A1 Novel pharmaceutical compounds BLOUIN MARC 2009-01-29 US disclosed
US-20090030048-A1 Novel pharmaceutical compounds BLOUIN MARC 2009-01-29 US disclosed
EP-1869031-A1 THIADIAZOLE SUBSTITUTED COUMARIN DERIVATIVES AND THEIR USE AS LEUKOTRIENE BIOSYNTHESIS INHIBITOR Merck Frosst Canada Ltd. (CA) 2007-12-26 EP disclosed
US-20070149579-A1 Novel pharmaceutical compounds MERCK CANADA INC. (CA) 2007-06-28 US disclosed
US-20070149579-A1 Novel pharmaceutical compounds MERCK CANADA INC. (CA) 2007-06-28 US disclosed
US-20070149579-A1 Novel pharmaceutical compounds MERCK CANADA INC. (CA) 2007-06-28 US disclosed
WO-2006099735-A1 THIADIAZOLE SUBSTITUTED COUMARIN DERIVATIVES AND THEIR USE AS LEUKOTRIENE BIOSYNTHESIS INHIBITOR MERCK FROSST CANADA LTD. (CA) 2006-09-28 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 (3 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-20090030048-A1 Novel pharmaceutical compounds LTA4H, LTB4R2, LTC4S KDM4E 3391/4885NPC1 264/4885RAB9A 3169/4885
US-20070149579-A1 Novel pharmaceutical compounds LTA4H, LTB4R2, LTC4S KDM4E 3391/4885NPC1 264/4885RAB9A 3169/4885
US-20090227638-A1 Novel Pharmaceutical Compounds LTC4S, LTB4R2, LTB4R KDM4E 2950/4885NPC1 643/4885RAB9A 4484/4885

“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.