SCHEMBL10248962

SCHEMBL10248962

Cc1ccc2c(c1)nc(-c1cc[n+]([O-])cc1F)n2C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 1/20 0.41
KDM4E B2RXH2 4/20 0.39
HSD17B10 Q99714 2/20 0.39
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ACSS2 Q9NR19 1/20 0.38
NLRP3 Q96P20 1/20 0.37
TLR8 Q9NR97 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
NPC1 O15118 4/20 0.35
MAPT P10636 4/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
GFER P55789 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PIK3CA P42336 2/20 0.34

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
SCHEMBL355769 0.85 PDE2A (0.44) AGPAT2KDM4EHSD17B10CA12CA9
SCHEMBL10249125 0.81 AKT1 (0.32)
SCHEMBL10248879 0.79 CA1 (0.49) AGPAT2KDM4EHSD17B10CA12CA9
SCHEMBL10249024 0.76 SMN1; SMN2 (0.47) AGPAT2KDM4EHSD17B10ACSS2ALDH1A1
SCHEMBL15426497 0.74 HSD11B1 (0.49) AGPAT2KDM4EHSD17B10ACSS2PIK3CA
SCHEMBL14699735 0.74 AGPAT2 (0.49) AGPAT2KDM4EHSD17B10CA12CA9
SCHEMBL4544492 0.73 KDM4E (0.50) AGPAT2KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL10275170 0.72 POLB (0.42) AGPAT2POLB
SCHEMBL17049516 0.69 CA12 (0.42) AGPAT2KDM4EHSD17B10CA12CA9
SCHEMBL15426342 0.68 NLRP3 (0.45) AGPAT2KDM4EHSD17B10CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461181-B2 Fused heterocyclic compound and use thereof SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2013-06-11 US disclosed
US-8273764-B2 Fused heterocyclic compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-25 US disclosed
US-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-07-12 US disclosed
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-19 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-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 AGPAT2 3286/4885KDM4E 3947/4885HSD17B10 2491/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 AGPAT2 3286/4885KDM4E 3947/4885HSD17B10 2491/4885

“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.