SCHEMBL1387703

SCHEMBL1387703

CCOC(=N)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
NPSR1 Q6W5P4 1/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
EPHX2 P34913 1/20 0.49
HTT P42858 3/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TRPV1 Q8NER1 1/20 0.44
RAB9A P51151 2/20 0.43
CDK1 P06493 1/20 0.43
KIF11 P52732 2/20 0.42
TGM2 P21980 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TLR2 O60603 1/20 0.41
IDH1 O75874 1/20 0.41

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
SCHEMBL1387840 0.82 EPHX2 (0.55) MEN1KMT2AEPHX2HTTLMNA
SCHEMBL7471768 0.80 MAPT (0.59) MAPTNPSR1MEN1KMT2AEPHX2
SCHEMBL24969427 0.78 MAPT (0.69) MAPTNPSR1MEN1KMT2AEPHX2
SCHEMBL24879921 0.77 EPHX2 (0.53) MEN1KMT2AEPHX2HTTLMNA
SCHEMBL10914770 0.77 POLB (0.45) MAPTNPSR1MEN1KMT2AHTT
SCHEMBL28709827 0.76 TSHR (0.64) MAPTNPSR1MEN1KMT2AEPHX2
Hydrochloric Acid SCHEMBL10911843 0.75 POLB (0.44) MAPTNPSR1MEN1KMT2AHTT
SCHEMBL23084253 0.74 EPHX2 (0.59) MEN1KMT2AEPHX2HTTLMNA
SCHEMBL11085152 0.74 EPHX2 (0.58) MAPTNPSR1MEN1KMT2AEPHX2
SCHEMBL27350327 0.74 MEN1 (0.65) MAPTNPSR1MEN1KMT2AEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6225305-B1 Substituted urea and isothiorea derivatives as no synthase inhibitors GLAXO WELLCOME INC. 2001-05-01 US claimed
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 MAPT 864/4885NPSR1 1397/4885MEN1 3178/4885

“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.