SCHEMBL2816748

SCHEMBL2816748

CC(=O)Oc1ccc(Cc2nc(C(N)=O)c(NC(=O)Nc3ccc(SC(F)(F)F)cc3)[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 8/20 0.43
KIF11 P52732 1/20 0.38
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
KDR P35968 1/20 0.37
TEK Q02763 1/20 0.37
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FAAH O00519 1/20 0.35
EPHX2 P34913 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 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
SCHEMBL17957236 0.87 KIF11 (0.42) PDE2AKIF11KDRTEKPKM
SCHEMBL2816745 0.87 PDE2A (0.39) PDE2AKIF11SAE1UBA2KDR
SCHEMBL2818220 0.86 SAE1 (0.42) SAE1UBA2KDRPKMSMN1; SMN2
SCHEMBL2814139 0.84 KMT2A (0.44) KIF11SAE1UBA2PKMSMN1; SMN2
SCHEMBL2816797 0.83 SAE1 (0.49) SAE1UBA2KDRPKMSMN1; SMN2
SCHEMBL2814845 0.83 CA12 (0.43) SAE1UBA2EPHX2GRIN1GRIN2B
SCHEMBL2815487 0.82 KMT2A (0.45) SMN1; SMN2HTTMAPT
SCHEMBL2813764 0.80 CCNC (0.39) SAE1UBA2PKMSMN1; SMN2GRIN1
SCHEMBL2815632 0.80 KDR (0.46) KDRTEKSMN1; SMN2HTTMAPT
SCHEMBL13132987 0.79 SAE1 (0.51) PDE2ASAE1UBA2KDRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249132-A1 IMIDAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-30 US claimed
US-20100249132-A1 IMIDAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-30 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 (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-20100249132-A1 IMIDAZOLE DERIVATIVES SDHA, SDHB, TPD52L2 PDE2A 1574/4885KIF11 2526/4885SAE1 902/4885

“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.