SCHEMBL7525014

SCHEMBL7525014

O=Cc1cccc(-c2ccsc2)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.48
PTPRC P08575 1/20 0.37
CYP2A6 P11509 4/20 0.37
CYP2B6 P20813 3/20 0.37
CYP2E1 P05181 2/20 0.37
TMIGD3 P0DMS9 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAOB P27338 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34

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
SCHEMBL21774240 0.85 ERN1 (0.49) ERN1PTPRCCYP2A6CYP2B6CYP2E1
SCHEMBL609426 0.82 ERN1 (0.49) ERN1PTPRCCYP2A6CYP2B6CYP2E1
SCHEMBL7533951 0.80 ERN1 (0.51) ERN1PTPRCCYP2A6CYP2B6CYP2E1
SCHEMBL16399564 0.78 LMNA (0.48) ERN1MEN1LMNATHRBBLM
SCHEMBL6438260 0.77 PDGFRB (0.45) ERN1PTPRCCYP2A6CYP2B6CYP2E1
SCHEMBL2359029 0.77 ERN1 (0.44) ERN1MEN1LMNATHRBBLM
SCHEMBL13388033 0.77 ERN1 (0.44) ERN1PTPRCCYP2A6CYP2B6CYP2E1
SCHEMBL7528504 0.76 CA1 (0.49) ERN1MAOB
SCHEMBL28918738 0.75 ERN1 (0.49) ERN1PTPRCCYP2A6CYP2B6CYP2E1
SCHEMBL15742298 0.74 ERN1 (0.48) ERN1MEN1LMNATHRBBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
EP-1187824-B1 NOVEL (2-SUBSTITUTED-5 - 3-THIENYL) -BENZYL]- 2- ( 2-ISOPROPOXY-5-FLUORO] -PHENOXY) -ETHYL] -AMINE DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS PF MEDICAMENT (FR) 2002-11-13 EP disclosed
US-6417222-B1 DRUGS FOR PSYCHOLOGICAL DISORDERS OR COGNITION ACTIVATORS PIERRE FABRE MEDICAMENT (FR) 2002-07-09 US disclosed
EP-1187824-A2 NOVEL (2-SUBSTITUTED-5 - 3-THIENYL) -BENZYL]- 2- ( 2-ISOPROPOXY-5-FLUORO] -PHENOXY) -ETHYL] -AMINE DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS PIERRE FABRE MEDICAMENT (FR) 2002-03-20 EP disclosed
WO-2000058282-A2 NOVEL [(2-SUBSTITUTED-5 -[3-THIENYL) -BENZYL]-[2- ([2-ISOPROPOXY-5-FLUORO] -PHENOXY) -ETHYL] -AMINE DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS PIERRE FABRE MEDICAMENT (FR) 2000-10-05 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-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 ERN1 1852/4885PTPRC 1885/4885CYP2A6 3084/4885

“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.