SCHEMBL4287576

SCHEMBL4287576

Cc1nnc(-c2cc(O)ccc2F)o1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.40
NOTUM Q6P988 1/20 0.40
GUSB P08236 4/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
BRD4 O60885 1/20 0.39
PDK2 Q15119 1/20 0.39
PDE2A O00408 3/20 0.38
PDE10A Q9Y233 3/20 0.38
ANO1 Q5XXA6 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
ESR1 P03372 4/20 0.36
ESR2 Q92731 2/20 0.35

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
SCHEMBL1187141 0.87 ESR1 (0.47) GPR84NOTUMGUSBESR1ESR2
SCHEMBL13103800 0.83 NOTUM (0.42) NOTUMTRPM8BRD4PDK2ANO1
SCHEMBL8103862 0.80 NOTUM (0.40) GPR84NOTUMGUSBTRPM8BRD4
SCHEMBL14817732 0.78 SPHK2 (0.41) NOTUMBRD4PDK2ANO1CA12
SCHEMBL10202698 0.78 LMNA (0.41) NOTUMTRPM8BRD4PDK2ANO1
SCHEMBL13393578 0.75 NPC1 (0.55) NOTUMGUSBBRD4PDK2ANO1
SCHEMBL4281887 0.74 GUSB (0.60) GUSBBRD4ESR1ESR2
SCHEMBL26206906 0.72 NOTUM (0.45) NOTUMTRPM8BRD4PDK2CA12
SCHEMBL16573949 0.72 NOTUM (0.45) NOTUMTRPM8BRD4PDK2CA12
SCHEMBL29431784 0.72 LRRK2 (0.41) PDK2PDE2APDE10ACA12CA1

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-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 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 (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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT GPR84 2653/4885NOTUM 282/4885GUSB 1077/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT GPR84 2653/4885NOTUM 282/4885GUSB 1077/4885

“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.