SCHEMBL2203198

SCHEMBL2203198

O=C1[N]c2ccccc2Nc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.50
ACVR1 Q04771 2/20 0.50
PDGFRA P16234 1/20 0.50
FER P16591 1/20 0.50
LTK P29376 1/20 0.50
CDK8 P49336 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
MAPT P10636 4/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 3/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
CSNK1G1 Q9HCP0 1/20 0.39
CHEK1 O14757 1/20 0.39
GSK3B P49841 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 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
SCHEMBL370447 0.79 LRRK2 (0.48) LRRK2ACVR1PDGFRAFERLTK
SCHEMBL554552 0.79 MAPT (0.46) LRRK2ACVR1PDGFRAFERLTK
SCHEMBL240371 0.78 MAPT (0.43) LRRK2ACVR1PDGFRAFERLTK
SCHEMBL7980321 0.76 MAPT (0.56) LRRK2ACVR1PDGFRAFERLTK
SCHEMBL7921203 0.75
SCHEMBL20505096 0.74 MAPT (0.44) LRRK2ACVR1PDGFRAFERLTK
SCHEMBL20723 0.74 MAPT (0.44) LRRK2ACVR1PDGFRAFERLTK
SCHEMBL7008952 0.72 LRRK2 (0.45) LRRK2ACVR1PDGFRAFERLTK
SCHEMBL9672660 0.72 MEN1 (0.43) MAOAMAOBMAPTLMNAALDH1A1
SCHEMBL8919947 0.68 CYP1A2 (0.57) LRRK2ACVR1PDGFRAFERLTK

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
EP-1926721-B1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2016-05-04 EP disclosed
US-7977374-B2 Thiophene and thiazole substituted trifluoroethanone derivatives as histone deacetylase (HDAC) inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-07-12 US disclosed
US-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-06-18 US 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-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC2, HDAC11 LRRK2 1042/4885ACVR1 4555/4885PDGFRA 2480/4885

“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.