SCHEMBL1522499

SCHEMBL1522499

N#Cc1ccc(Cn2c(=O)oc(=O)c3cccnc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.55
TP53 P04637 1/20 0.43
MAPT P10636 3/20 0.41
CYP19A1 P11511 3/20 0.40
ELANE P08246 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
THRB P10828 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37

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
SCHEMBL1522408 0.87 MAPT (0.43) PTGDR2MAPTCYP19A1ELANETHRB
SCHEMBL1522698 0.84 PTGDR2 (0.51) PTGDR2TP53MAPTKDM4EALDH1A1
SCHEMBL1522225 0.84 PTGDR2 (0.55) PTGDR2TP53MAPTKDM4EALDH1A1
SCHEMBL1522441 0.84 TP53 (0.45) PTGDR2TP53MAPTKDM4EALDH1A1
SCHEMBL1523366 0.83 PTGDR2 (0.51) PTGDR2TP53MAPTKDM4EALDH1A1
SCHEMBL1522645 0.82 PTGDR2 (0.44) PTGDR2TP53MAPTKDM4EALDH1A1
SCHEMBL1523317 0.81 MAPT (0.59) PTGDR2TP53MAPTKDM4EALDH1A1
SCHEMBL3513813 0.81 PTGDR2 (0.55) PTGDR2TP53MAPTKDM4EALDH1A1
SCHEMBL1522968 0.81 PTGDR2 (0.45) PTGDR2TP53MAPTKDM4EALDH1A1
SCHEMBL1715052 0.80 IDO1 (0.48) TP53MAPTCYP19A1ALDH1A1

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-20040167123-A1 Anti-infective agents ABBVIE INC. 2004-08-26 US disclosed
US-20040162285-A1 Anti-infective agents ABBOTT LABORATORIES 2004-08-19 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-20040162285-A1 Anti-infective agents POLR1C, RPL5, POLB PTGDR2 4141/4885TP53 3666/4885MAPT 4106/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 PTGDR2 4076/4885TP53 3890/4885MAPT 4529/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT PTGDR2 4088/4885TP53 3573/4885MAPT 4234/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB PTGDR2 4141/4885TP53 3666/4885MAPT 4106/4885

“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.