SCHEMBL425446

SCHEMBL425446

CN(C(=O)n1cnc(-c2ccc(F)cc2F)n1)c1ccc(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.38
PIK3C3 Q8NEB9 3/20 0.37
MAPK14 Q16539 2/20 0.37
KMO O15229 2/20 0.35
KDM4A O75164 1/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
MAPT P10636 1/20 0.35
PDE4B Q07343 2/20 0.34
DPP4 P27487 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
PDE4D Q08499 1/20 0.34
PIK3CA P42336 1/20 0.33
GRM5 P41594 1/20 0.33
ALPL P05186 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL427525 0.86 PIK3C3 (0.38) PIK3C3MAPTPIK3CA
SCHEMBL427532 0.70 HDAC6 (0.49)
SCHEMBL424504 0.68 CNR2 (0.39) MAPK14KMOKDM4AKDM5AKDM4C
SCHEMBL2096355 0.67 HTT (0.46) PIK3C3MAPTPIK3CAHTT
SCHEMBL2096358 0.67 HTT (0.46) PIK3C3MAPTPIK3CAHTT
SCHEMBL7002940 0.67 FSCN1 (0.49) PIK3C3MAPTPIK3CAHTT
SCHEMBL9894481 0.67 DHODH (0.37) KMOKDM4AKDM5AKDM4CKDM5B
SCHEMBL5317201 0.66 HTT (0.49) PIK3C3MAPTPIK3CAHTT
SCHEMBL427280 0.66 GPBAR1 (0.46) GPBAR1MAPT
SCHEMBL30739730 0.65 MAPT (0.47) GPBAR1PIK3C3MAPTPIK3CAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 GPBAR1 218/4885PIK3C3 3827/4885MAPK14 4357/4885

“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.