SCHEMBL4505211

SCHEMBL4505211

NC(=O)Nc1cccc(Cc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
MAPT P10636 2/20 0.55
GFER P55789 1/20 0.55
PLA2G10 O15496 1/20 0.50
PLA2G2A P14555 1/20 0.50
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
USP30 Q70CQ3 2/20 0.49
PPIA P62937 1/20 0.49
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 0.47
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CFD P00746 1/20 0.47
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
EPHX2 P34913 1/20 0.46

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
SCHEMBL27951813 0.88 NR3C2 (0.59) GAAMAPTGFERPPIAKMT2A
SCHEMBL8859893 0.85 GAA (0.63) GAAMAPTGFERPLA2G10PLA2G2A
SCHEMBL3427115 0.84 ALDH1A1 (0.60) GAAMAPTPRSS1PRSS2PRSS3
SCHEMBL14384831 0.84 NPSR1 (0.64) MAPTNPSR1KMT2A
SCHEMBL11601488 0.84 SELP (0.60) GAAMAPTGFERITGB3ITGA2B
SCHEMBL2557430 0.84 CFD (0.55) GAAMAPTGFERNOS3NOS1
SCHEMBL10647146 0.84 MAPT (0.47) GAAMAPTGFERPPIANOS3
SCHEMBL5211495 0.84 PDK1 (0.55) GAAMAPTGFERPRSS1PRSS2
SCHEMBL2569068 0.83 NOS1 (0.51) GAAMAPTGFERNOS3NOS1
SCHEMBL13564689 0.82 MAPT (0.46) GAAMAPTGFERPPIANOS3

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
US-8252814-B2 Agents and crystals for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-28 US disclosed
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ISHIHARA YUJI 2009-10-22 US disclosed
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ISIHARA YUJI 2006-12-14 US disclosed
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2002-11-28 US disclosed
WO-2001007431-A2 BENZOTHIOPHENE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-02-01 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 (3 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-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A GAA 149/4885MAPT 1113/4885GFER 3257/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE GAA 277/4885MAPT 1206/4885GFER 3125/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A GAA 194/4885MAPT 1290/4885GFER 3405/4885

“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.