SCHEMBL1522408

SCHEMBL1522408

N#Cc1cccc(Cn2c(=O)oc(=O)c3cccnc32)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.43
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
THRB P10828 1/20 0.41
DPP4 P27487 1/20 0.41
ELANE P08246 1/20 0.41
MAOB P27338 1/20 0.40
BRD4 O60885 1/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2B Q13224 2/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
PDE1A P54750 1/20 0.39
PDE1C Q14123 1/20 0.39
PIK3R1 P27986 2/20 0.39
PIK3CA P42336 2/20 0.39

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
SCHEMBL1522499 0.87 PTGDR2 (0.55) MAPTPTGDR2CYP19A1CYP11B1CYP11B2
SCHEMBL1522322 0.82 MEN1 (0.52) MAPTPTGDR2THRB
SCHEMBL1522402 0.82 PTGDR2 (0.55) MAPTPTGDR2THRB
SCHEMBL1522224 0.82 MAPT (0.46) MAPTPTGDR2CYP11B1CYP11B2THRB
SCHEMBL1523014 0.82 MAPT (0.63) MAPTTHRB
SCHEMBL1523043 0.82 MAPT (0.46) MAPTPTGDR2THRBMAOB
SCHEMBL1522698 0.81 PTGDR2 (0.51) MAPTPTGDR2THRB
SCHEMBL1522904 0.80 ABHD6 (0.47) MAPTPTGDR2THRBMAOBGRIN1
SCHEMBL1523692 0.80 MAPT (0.65) MAPTTHRB
SCHEMBL1522437 0.79 MAPT (0.50) MAPTPTGDR2THRBELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2361913-A1 Anti-infective agents Abbott Laboratories (US) 2011-08-31 EP disclosed
US-7902203-B2 Anti-infective agents ABBOTT LABORATORIES, INC. (US) 2011-03-08 US disclosed
EP-1560827-B1 ANTI-INFECTIVE AGENTS ABBOTT LAB (US) 2010-12-29 EP disclosed
CN-1735612-A Anti-infective agents ABBOTT LAB (US) 2006-02-15 CN disclosed
US-20050075331-A1 Anti-infective agents ABBOTT LABORATORIES 2005-04-07 US disclosed
US-20040162285-A1 Anti-infective agents ABBOTT LABORATORIES 2004-08-19 US disclosed
US-20040097492-A1 Anti-infective agents ABBOTT LABORATORIES 2004-05-20 US disclosed
US-20040087577-A1 Anti-infective agents ABBOTT LABORATORIES 2004-05-06 US 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 (4 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-20040097492-A1 Anti-infective agents POLR1C, RPL5, POLB MAPT 4106/4885PTGDR2 4141/4885CYP19A1 2518/4885
US-20040162285-A1 Anti-infective agents POLR1C, RPL5, POLB MAPT 4106/4885PTGDR2 4141/4885CYP19A1 2518/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT MAPT 4234/4885PTGDR2 4088/4885CYP19A1 3056/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB MAPT 4106/4885PTGDR2 4141/4885CYP19A1 2518/4885

“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.