SCHEMBL2814552

SCHEMBL2814552

CCc1cccc(CC)c1NC(=O)Nc1[nH]c(Cc2ccc(C(=O)O)o2)nc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.46
CACNA1C Q13936 2/20 0.37
SCN5A Q14524 2/20 0.37
S1PR4 O95977 1/20 0.33
CHIT1 Q13231 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
RNASEH1 O60930 2/20 0.32

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
SCHEMBL2816853 0.95 FBP1 (0.43) FBP1S1PR4CHIT1ALDH1A1GAA
SCHEMBL2812983 0.90 FBP1 (0.47) FBP1S1PR4ALDH1A1GAAKMT2A
SCHEMBL2817159 0.87 FBP1 (0.48) FBP1GAANPC1RAB9AKMT2A
SCHEMBL3992247 0.87 FBP1 (0.45) FBP1
SCHEMBL2815726 0.85 FBP1 (0.46) FBP1ALDH1A1GAANPC1RAB9A
SCHEMBL3989886 0.82 FBP1 (0.45) FBP1NPC1RAB9AKMT2A
SCHEMBL3993827 0.82 FBP1 (0.45) FBP1GAANPC1RAB9AKMT2A
SCHEMBL2812988 0.82 SMN1; SMN2 (0.45) FBP1ALDH1A1RAB9AKMT2A
SCHEMBL2814384 0.82 FBP1 (0.46) FBP1ALDH1A1GAANPC1RAB9A
SCHEMBL2816512 0.81 FBP1 (0.46) FBP1NPC1RAB9AKMT2A

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 FBP1 2186/4885CACNA1C 3584/4885SCN5A 2406/4885

“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.