SCHEMBL1522437

SCHEMBL1522437

O=c1oc(=O)n(Cc2cccc(Oc3ccccc3)c2)c2ncccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
THRB P10828 1/20 0.50
FAAH O00519 2/20 0.48
MGLL Q99685 2/20 0.44
TRPV6 Q9H1D0 1/20 0.44
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
PPARG P37231 2/20 0.42
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
ABHD6 Q9BV23 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL1523692 0.88 MAPT (0.65) MAPTTHRBPOLBALDH1A1KDM4E
SCHEMBL1522698 0.86 PTGDR2 (0.51) MAPTTHRBALDH1A1KDM4EMEN1
SCHEMBL1522322 0.81 MEN1 (0.52) MAPTTHRBPOLBALDH1A1KDM4E
SCHEMBL1523043 0.81 MAPT (0.46) MAPTTHRBALDH1A1KDM4EMEN1
SCHEMBL1522224 0.81 MAPT (0.46) MAPTTHRBPOLBALDH1A1KDM4E
SCHEMBL1522402 0.81 PTGDR2 (0.55) MAPTTHRBALDH1A1KDM4EHPGD
SCHEMBL1523014 0.81 MAPT (0.63) MAPTTHRBPOLBKDM4ECYP1A2
SCHEMBL1522234 0.81 MCL1 (0.44) MAPTTHRBFAAHALDH1A1KDM4E
SCHEMBL1522645 0.79 PTGDR2 (0.44) MAPTTHRBFAAHMGLLALDH1A1
SCHEMBL1522408 0.79 MAPT (0.43) MAPTTHRBPTGDR2ELANE

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
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
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 MAPT 4106/4885THRB 3869/4885FAAH 2092/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 MAPT 4529/4885THRB 4632/4885FAAH 2430/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT MAPT 4234/4885THRB 4525/4885FAAH 2830/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB MAPT 4106/4885THRB 3869/4885FAAH 2092/4885

“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.