SCHEMBL5164490

SCHEMBL5164490

Cc1nc(-c2cccc(NC(C(=O)O)c3ccccc3)c2)no1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
TP53 P04637 5/20 0.52
MAPT P10636 4/20 0.51
POLB P06746 2/20 0.51
HTT P42858 3/20 0.45
MAPK1 P28482 2/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HAVCR2 Q8TDQ0 4/20 0.43
PLK1 P53350 1/20 0.42
ADORA2A P29274 3/20 0.42
NPSR1 Q6W5P4 1/20 0.41
S1PR3 Q99500 1/20 0.41
MMP12 P39900 1/20 0.41
ADORA1 P30542 1/20 0.40

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
SCHEMBL29176858 0.79 L3MBTL1 (0.62) L3MBTL1TP53MAPTPOLBHTT
SCHEMBL30817778 0.79 L3MBTL1 (0.62) L3MBTL1TP53MAPTPOLBHTT
SCHEMBL6812265 0.77 TP53 (0.47) L3MBTL1TP53MAPTPOLBHTT
SCHEMBL6813074 0.76 TP53 (0.45) L3MBTL1TP53MAPTPOLBHTT
SCHEMBL5165370 0.75 L3MBTL1 (0.54) L3MBTL1TP53MAPTPOLBHTT
SCHEMBL13273862 0.75 MAPT (0.63) L3MBTL1TP53MAPTPOLBHTT
SCHEMBL6995077 0.75 L3MBTL1 (0.56) L3MBTL1TP53MAPTPOLBHTT
SCHEMBL6807561 0.74 TP53 (0.63) L3MBTL1TP53MAPTPOLBHTT
SCHEMBL7574752 0.74 NPSR1 (0.53) L3MBTL1MAPTPOLBHTTMAPK1
SCHEMBL8311929 0.74 L3MBTL1 (0.72) L3MBTL1TP53MAPTPOLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 US disclosed
EP-1351938-B1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2007-04-11 EP disclosed
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US disclosed
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP disclosed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 WO disclosed
WO-2002030880-A2 N-SUBSTITUTED AMINO ACID DERIVATIVES (FACTOR XA INHIBITORS) MERCK PATENT GMBH (DE) 2002-04-18 WO 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-20040087582-A1 Phenyl derivatives F2, F11, SERPINC1 L3MBTL1 389/4885TP53 4035/4885MAPT 4360/4885

“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.