SCHEMBL1523043

SCHEMBL1523043

O=c1oc(=O)n(Cc2cccc(I)c2)c2ncccc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
THRB P10828 1/20 0.43
PTGDR2 Q9Y5Y4 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PDE1B Q01064 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
TP53 P04637 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
HTR2C P28335 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TNIK Q9UKE5 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL1523014 0.85 MAPT (0.63) MAPTTHRBKDM4ETP53KMT2A
SCHEMBL1522322 0.85 MEN1 (0.52) MAPTTHRBPTGDR2ALDH1A1KDM4E
SCHEMBL1522224 0.85 MAPT (0.46) MAPTTHRBPTGDR2ALDH1A1KDM4E
SCHEMBL1522402 0.85 PTGDR2 (0.55) MAPTTHRBPTGDR2ALDH1A1KDM4E
SCHEMBL1522698 0.84 PTGDR2 (0.51) MAPTTHRBPTGDR2ALDH1A1KDM4E
SCHEMBL1522904 0.82 ABHD6 (0.47) MAPTTHRBPTGDR2MAOAMAOB
SCHEMBL1522408 0.82 MAPT (0.43) MAPTTHRBPTGDR2MAOB
SCHEMBL1523692 0.82 MAPT (0.65) MAPTTHRBALDH1A1KDM4EMEN1
SCHEMBL1522437 0.81 MAPT (0.50) MAPTTHRBPTGDR2ALDH1A1KDM4E
SCHEMBL1522308 0.81 L3MBTL1 (0.55) MAPTTHRBPTGDR2PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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 (5 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 4106/4885THRB 3869/4885PTGDR2 4141/4885
US-20040162285-A1 Anti-infective agents POLR1C, RPL5, POLB MAPT 4106/4885THRB 3869/4885PTGDR2 4141/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 MAPT 4529/4885THRB 4632/4885PTGDR2 4076/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT MAPT 4234/4885THRB 4525/4885PTGDR2 4088/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB MAPT 4106/4885THRB 3869/4885PTGDR2 4141/4885

“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.