SCHEMBL2816745

SCHEMBL2816745

NC(=O)c1nc(Cc2ccc(OCC(=O)O)cc2)[nH]c1NC(=O)Nc1ccc(SC(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.39
IDH1 O75874 1/20 0.38
KIF11 P52732 1/20 0.38
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN7 P35236 1/20 0.37
FFAR1 O14842 1/20 0.36
MAPT P10636 1/20 0.36
KDR P35968 2/20 0.36
KIT P10721 1/20 0.36
BRAF P15056 1/20 0.36
MAPK1 P28482 1/20 0.36
AKT1 P31749 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
PTPRZ1 P23471 1/20 0.35
TEK Q02763 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHIT1 Q13231 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
SCHEMBL2815366 0.89 IDH1 (0.49) IDH1PTPN1FFAR1MAPTKDR
SCHEMBL2816767 0.87 MEN1 (0.43) IDH1MAPTMAPK1SAE1UBA2
SCHEMBL2816748 0.87 PDE2A (0.43) PDE2AKIF11PTPN2PTPN1PTPN7
SCHEMBL17957236 0.86 KIF11 (0.42) PDE2AKIF11MAPTKDRKIT
SCHEMBL2812979 0.86 MAPT (0.40) PTPN7MAPTMAPK1SAE1UBA2
SCHEMBL17957266 0.86 MAPT (0.43) FFAR1MAPTMAPK1SMN1; SMN2SAE1
SCHEMBL2815561 0.86 MAPT (0.44) MAPTMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL2813209 0.86 LMNA (0.47) MAPTKDRNPC1RAB9ASAE1
SCHEMBL2816883 0.85 GRIN1 (0.47) PTPN7FFAR1MAPTALDH1A1CA12
SCHEMBL2816790 0.84 SAE1 (0.49) MAPTKDRMAPK1RAB9ASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2193122-B1 IMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2016-08-03 EP claimed
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
US-20100249132-A1 IMIDAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-30 US disclosed
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 1574/4885IDH1 49/4885KIF11 2526/4885

“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.