SCHEMBL4523027

SCHEMBL4523027

O=C(C=Cc1sc2ncccc2c1-c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 1/20 0.43
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
PADI4 Q9UM07 1/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL8233012 0.80 EP300 (0.42)
SCHEMBL4523029 0.79 PADI4 (0.48) TNFRSF1APADI4
SCHEMBL8237568 0.75 ALOX5 (0.47) PADI4
SCHEMBL13605640 0.75 ALOX5 (0.49) PADI4
SCHEMBL4533208 0.74 KDM4E (0.49)
Hydrochloric Acid SCHEMBL4520231 0.73 KDM4E (0.48)
SCHEMBL13605644 0.73 PADI4 (0.44) RELAMAOAMAOBPADI4
SCHEMBL13605662 0.72 ESR1 (0.57) MAPT
SCHEMBL13175006 0.70 MAPK14 (0.43)
SCHEMBL8239980 0.70 IKBKB (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090326001-A1 THIENOPYRIDINE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS RICHTER GEDEON NYRT. (HU) 2009-12-31 US disclosed
EP-1971609-A1 THIENOPYRIDINE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Richter Gedeon NYRT (HU) 2008-09-24 EP disclosed
WO-2007072090-A1 THIENOPYRIDINE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS RICHTER GEDEON NYRT. (HU) 2007-06-28 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 (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-20090326001-A1 THIENOPYRIDINE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRIK5 TNFRSF1A 1959/4885RELA 2628/4885SMN1; SMN2 387/4885

“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.