SCHEMBL4309705

SCHEMBL4309705

FC(F)Oc1ccc(C#Cc2cccnc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.45
CYP2A6 P11509 6/20 0.45
FFAR1 O14842 1/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2B6 P20813 3/20 0.44
CYP2C19 P33261 3/20 0.44
CYP2D6 P10635 3/20 0.44
CYP2E1 P05181 2/20 0.44
CYP3A4 P08684 2/20 0.44
LMNA P02545 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C8 P10632 1/20 0.42
GRM5 P41594 4/20 0.42
CHRNB2 P17787 2/20 0.42
CHRNA4 P43681 2/20 0.42
CYP19A1 P11511 1/20 0.41
ACACB O00763 1/20 0.40

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
SCHEMBL2791751 0.81 PPARG (0.54) FFAR1LMNACHRNB2CHRNA4ACACB
SCHEMBL2797770 0.80 ACACB (0.51) LMNAACACB
SCHEMBL13907278 0.80 CYP2A6 (0.62) CYP2A6FFAR1CYP2C9CYP2B6CYP2C19
SCHEMBL703609 0.78 APP (0.52) HAO1CYP2A6FFAR1CYP2C9CYP2B6
SCHEMBL3796332 0.76 CYP2A6 (0.67) CYP2A6CYP2C9CYP2B6CYP2C19CYP2D6
SCHEMBL1479142 0.75 CYP2A6 (0.53) CYP2A6FFAR1CYP2C9CYP2B6CYP2C19
SCHEMBL29567546 0.75 LMNA (0.50) CYP2A6CYP3A4LMNACYP1A2CHRNB2
SCHEMBL1153902 0.75 LMNA (0.50) CYP2A6CYP3A4LMNACYP1A2CHRNB2
SCHEMBL28047515 0.75 CYP3A4 (0.54) CYP2A6CYP2C9CYP2C19CYP2D6CYP3A4
SCHEMBL31673222 0.74 GRM5 (0.64) CYP2A6FFAR1CYP2C9CYP2B6CYP2C19

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-20090042908-A1 AMINO-5-(6-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR BETA-SECRETASE MODULATION WYETH (US) 2009-02-12 US disclosed
US-7452885-B2 Amino-5-(6-membered)heteroarylimidazolone compounds and the use thereof for β-secretase modulation WYETH (US) 2008-11-18 US disclosed
EP-1896448-A1 AMINO-5-(6-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR ß-SECRETASE MODULATION Wyeth (US) 2008-03-12 EP disclosed
WO-2007005404-A1 AMINO-5-(6-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR ß-SECRETASE MODULATION WYETH (US) 2007-01-11 WO disclosed
US-20070004730-A1 Amino-5-(6-membered)heteroarylimidazolone compounds and the use thereof for beta-secretase modulation WYETH (US) 2007-01-04 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 (2 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-20070004730-A1 Amino-5-(6-membered)heteroarylimidazolone compounds and the use thereof for beta-secretase modulation BACE1, BACE2, APP HAO1 4011/4885CYP2A6 4238/4885FFAR1 3940/4885
US-20090042908-A1 AMINO-5-(6-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR BETA-SECRETASE MODULATION BACE1, BACE2, APP HAO1 4011/4885CYP2A6 4238/4885FFAR1 3940/4885

“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.