SCHEMBL425556

SCHEMBL425556

COc1ccc(-c2cn(C(=O)N(C)c3ccc(F)cc3)cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
SCN4A P35499 1/20 0.43
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
HSP90AA1 P07900 1/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
PLA2G2A P14555 1/20 0.41
ACHE P22303 1/20 0.41
LIPE Q05469 1/20 0.41
FLT3 P36888 1/20 0.40
MCHR1 Q99705 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
FAAH O00519 1/20 0.40
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL426694 0.88 ACHE (0.49) L3MBTL1ACHELIPELMNAFAAH
SCHEMBL425544 0.88 FAAH (0.52) HSP90AA1PDK1PDK2PDK3PDK4
SCHEMBL427152 0.86 FAAH (0.42) SCN4ALMNATP53FAAH
SCHEMBL426706 0.85 GPBAR1 (0.46) SCN4AACHELIPELMNATP53
SCHEMBL425399 0.85 RAB9A (0.43) HSP90AA1PDK1PDK2PDK3PDK4
SCHEMBL425550 0.85 FAAH (0.51) SCN4ALMNATP53FAAHMAPT
SCHEMBL426470 0.84 STS (0.43) L3MBTL1SCN4AABL1BCRPLA2G2A
SCHEMBL427521 0.78 ACHE (0.47) SCN4AACHELIPEMCHR1MAPT
SCHEMBL425409 0.78 HSD17B2 (0.50) LMNATP53FAAHMAPT
SCHEMBL427489 0.77 FAAH (0.40) L3MBTL1LMNATP53FAAH

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 9 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
EP-2382012-A2 PHARMACEUTICAL COMPOUNDS Bial-Portela & CA, S.A. (PT) 2011-11-02 EP disclosed
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 WO 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 L3MBTL1 4550/4885SCN4A 2103/4885ABL1 2318/4885

“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.