SCHEMBL2817151

SCHEMBL2817151

NC(=O)c1nc(Cc2ccc(OCC(=O)O)cc2)[nH]c1NC(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.51
NTRK1 P04629 1/20 0.47
NTRK2 Q16620 1/20 0.47
BRAF P15056 8/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 1/20 0.46
CDK8 P49336 3/20 0.46
CDK7 P50613 1/20 0.46
CDK6 Q00534 1/20 0.46
KDR P35968 9/20 0.45
MAPK14 Q16539 8/20 0.45
TNNI3K Q59H18 7/20 0.45
IDH1 O75874 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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 0.91 IDH1 (0.49) MAPTKDRIDH1
SCHEMBL2812186 0.89 KDR (0.55) KCNMA1NTRK1NTRK2BRAFMEN1
SCHEMBL2815628 0.87 MAPT (0.44) NTRK1NTRK2MEN1MAPTHTT
SCHEMBL2812619 0.86 KCNMA1 (0.52) KCNMA1NTRK1NTRK2BRAFMEN1
SCHEMBL2818316 0.86 KDR (0.46) BRAFKDR
SCHEMBL2814086 0.85 ITGB3 (0.43) NTRK1NTRK2MEN1MAPTHTT
SCHEMBL2814963 0.85 FLT3 (0.44) NTRK1NTRK2BRAFMEN1MAPT
SCHEMBL2816043 0.85 NOX1 (0.41) MAPTHTTRAB9AKDRLMNA
SCHEMBL2816767 0.84 MEN1 (0.43) MEN1MAPTKMT2AIDH1LMNA
SCHEMBL2814844 0.84 EPHX2 (0.43) NTRK1NTRK2MEN1MAPTHTT

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 1 patent. 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

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 KCNMA1 1748/4885NTRK1 3535/4885NTRK2 4562/4885

“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.