SCHEMBL1523058

SCHEMBL1523058

O=c1c(C2=NS(O)(O)c3cc(Br)ccc3N2)c(O)c2cccnc2n1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.43
CNR1 P21554 2/20 0.43
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
TNF P01375 1/20 0.38
PLA2G1B P04054 1/20 0.38
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 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
SCHEMBL1523056 0.91 MAPK1 (0.47) CNR2CNR1MAPK1HSD17B10MEN1
SCHEMBL1522451 0.90 CNR2 (0.43) CNR2CNR1MAPK1HSD17B10MEN1
SCHEMBL6745493 0.90 CNR2 (0.43) CNR2CNR1MAPK1HSD17B10MEN1
SCHEMBL1523090 0.90 MAPK1 (0.44) CNR2CNR1MAPK1HSD17B10HDAC1
SCHEMBL1522476 0.89 CNR2 (0.47) CNR2CNR1MAPK1HSD17B10MEN1
SCHEMBL1522430 0.89 MAPK1 (0.42) CNR2CNR1MAPK1HSD17B10MEN1
SCHEMBL1523611 0.87 CNR2 (0.42) CNR2CNR1MAPK1HSD17B10MEN1
SCHEMBL1523105 0.86 CNR2 (0.45) CNR2CNR1MAPK1HSD17B10MEN1
SCHEMBL1522435 0.85 CNR2 (0.44) CNR2CNR1MAPK1HSD17B10MEN1
SCHEMBL1523737 0.85 CNR2 (0.51) CNR2CNR1MAPK1HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040162285-A1 Anti-infective agents ABBOTT LABORATORIES 2004-08-19 US claimed
US-20040097492-A1 Anti-infective agents ABBOTT LABORATORIES 2004-05-20 US claimed
US-20040087577-A1 Anti-infective agents ABBOTT LABORATORIES 2004-05-06 US claimed
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
EP-1560827-A1 ANTI-INFECTIVE AGENTS Abbott Laboratories (US) 2005-08-10 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
WO-2004041818-A1 ANTI-INFECTIVE AGENTS ABBOTT LABORATORIES (US) 2004-05-21 WO 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 CNR2 4494/4885CNR1 3398/4885MAPK1 1456/4885
US-20040162285-A1 Anti-infective agents POLR1C, RPL5, POLB CNR2 4494/4885CNR1 3398/4885MAPK1 1456/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 CNR2 4140/4885CNR1 2252/4885MAPK1 739/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT CNR2 4150/4885CNR1 3251/4885MAPK1 2328/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB CNR2 4494/4885CNR1 3398/4885MAPK1 1456/4885

“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.