SCHEMBL1387758

SCHEMBL1387758

CCSC(=N)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.55
LMNA P02545 2/20 0.55
EPHX2 P34913 3/20 0.53
MAPT P10636 3/20 0.53
NOS3 P29474 2/20 0.50
NOS1 P29475 2/20 0.50
NOS2 P35228 2/20 0.50
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
KDM4E B2RXH2 1/20 0.48
KMT2A Q03164 1/20 0.46

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
Hydrochloric Acid SCHEMBL7785801 0.98 L3MBTL1 (0.54) L3MBTL1LMNAEPHX2MAPTNOS3
SCHEMBL23084233 0.84 EPHX2 (0.59) L3MBTL1LMNAEPHX2MAPTHDAC3
SCHEMBL7787971 0.81 SMN1; SMN2 (0.50) L3MBTL1LMNAMAPTNOS3NOS1
SCHEMBL4317540 0.80 MEN1 (0.49) L3MBTL1LMNAEPHX2NOS3NOS1
Hydrochloric Acid SCHEMBL4425282 0.78 LMNA (0.48) L3MBTL1LMNAEPHX2NOS3NOS1
SCHEMBL23084203 0.77 EPHX2 (0.62) L3MBTL1LMNAEPHX2MAPTHDAC3
SCHEMBL1387462 0.77 HPGD (0.54) L3MBTL1LMNAEPHX2MAPTNOS3
Iodide SCHEMBL7787919 0.76 HPGD (0.52) L3MBTL1LMNAEPHX2MAPTNOS3
SCHEMBL7788119 0.75 MAPT (0.44) L3MBTL1LMNAEPHX2MAPTNOS3
SCHEMBL30096708 0.75 EPHX2 (0.65) L3MBTL1LMNAEPHX2MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-H09504278-A 1997-04-28 JP claimed
EP-0723438-A1 SUBSTITUTED UREA AND ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1996-07-31 EP claimed
WO-1995009619-A2 SUBSTITUTED UREA AND ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1995-04-13 WO claimed
US-20010034342-A1 Substituted urea and isothiourea derivatives as no synthase inhibitors OPLINGER JEFFREY ALAN (US) 2001-10-25 US disclosed
US-6297276-B1 Substituted urea and isothiourea derivatives as no synthase inhibitors GLAXOSMITHKLINE 2001-10-02 US disclosed
US-6225305-B1 Substituted urea and isothiorea derivatives as no synthase inhibitors GLAXO WELLCOME INC. 2001-05-01 US disclosed
US-6090846-A ADMINISTERING S-ETHYL-N-((4-TRIFLUOROMETHYL)PHENYL)ISOTHIOUREA GLAXO WELLCOME INC. (US) 2000-07-18 US disclosed
EP-0723438-A1 SUBSTITUTED UREA AND ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1996-07-31 EP disclosed
WO-1995009619-A2 SUBSTITUTED UREA AND ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1995-04-13 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 (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-20010034342-A1 Substituted urea and isothiourea derivatives as no synthase inhibitors NOS1, NOS2, SLC14A1 L3MBTL1 2897/4885LMNA 4573/4885EPHX2 3407/4885

“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.