SCHEMBL2816377

SCHEMBL2816377

Cc1ccc(NC(=O)Nc2[nH]c(Cc3ccc(C(=O)O)o3)nc2C(N)=O)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.45
RAB9A P51151 2/20 0.39
GBA1 P04062 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
NTRK1 P04629 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
NTRK2 Q16620 1/20 0.37
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2815726 0.89 FBP1 (0.46) FBP1RAB9AMAPTALDH1A1GAA
SCHEMBL2812983 0.84 FBP1 (0.47) FBP1ALDH1A1GAAL3MBTL1KMT2A
SCHEMBL3991445 0.84 FBP1 (0.47) FBP1RAB9AMAPTALDH1A1GAA
SCHEMBL2812988 0.82 SMN1; SMN2 (0.45) FBP1RAB9AMAPTALDH1A1LMNA
SCHEMBL2817159 0.82 FBP1 (0.48) FBP1RAB9AMAPTGAATP53
SCHEMBL2818263 0.82 RAB9A (0.39) RAB9AGBA1MAPTALDH1A1GAA
SCHEMBL2816853 0.80 FBP1 (0.43) FBP1MAPTALDH1A1GAALMNA
SCHEMBL2814384 0.80 FBP1 (0.46) FBP1RAB9AMAPTALDH1A1GAA
SCHEMBL2815885 0.80 FBP1 (0.42) FBP1RAB9AMAPTALDH1A1GAA
SCHEMBL2816885 0.80 FBP1 (0.47) FBP1NTRK1NTRK2

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 2186/4885RAB9A 882/4885GBA1 2648/4885

“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.