SCHEMBL1376461

SCHEMBL1376461

O=c1c(C2=NS(O)(O)c3ccccc3N2)c(O)c2ccccc2n1NCc1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.48
HSD17B10 Q99714 1/20 0.48
NR1I2 O75469 1/20 0.37
CYP2C9 P11712 1/20 0.37
GAA P10253 2/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
MEN1 O00255 6/20 0.32
KMT2A Q03164 6/20 0.32
KDM4E B2RXH2 2/20 0.32
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DNM1 Q05193 1/20 0.31
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL1377085 0.93 MAPK1 (0.51) MAPK1HSD17B10NR1I2CYP2C9GAA
SCHEMBL1376460 0.91 MAPK1 (0.59) MAPK1HSD17B10NR1I2CYP2C9GAA
SCHEMBL1378291 0.91 MAPK1 (0.50) MAPK1HSD17B10NR1I2CYP2C9GAA
SCHEMBL1522342 0.91 MAPK1 (0.46) MAPK1HSD17B10NR1I2CYP2C9MEN1
SCHEMBL1377769 0.90 MAPK1 (0.49) MAPK1HSD17B10NR1I2CYP2C9GAA
SCHEMBL1377172 0.88 HSD17B10 (0.48) MAPK1HSD17B10NR1I2CYP2C9GAA
SCHEMBL1379878 0.86 HSD17B10 (0.47) MAPK1HSD17B10NR1I2CYP2C9GAA
SCHEMBL1378667 0.86 MAPK1 (0.47) MAPK1HSD17B10NR1I2CYP2C9MEN1
SCHEMBL1378475 0.85 MAPK1 (0.48) MAPK1HSD17B10NR1I2CYP2C9GAA
SCHEMBL1522512 0.84 MAPK1 (0.50) MAPK1HSD17B10NR1I2CYP2C9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4738172-B2 2011-08-03 JP claimed
EP-1560827-A1 ANTI-INFECTIVE AGENTS Abbott Laboratories (US) 2005-08-10 EP claimed
US-20050075331-A1 Anti-infective agents ABBOTT LABORATORIES 2005-04-07 US claimed
US-20040167123-A1 Anti-infective agents ABBVIE INC. 2004-08-26 US claimed
US-20040162285-A1 Anti-infective agents ABBOTT LABORATORIES 2004-08-19 US claimed
WO-2004041818-A1 ANTI-INFECTIVE AGENTS ABBOTT LABORATORIES (US) 2004-05-21 WO 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-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 MAPK1 1456/4885HSD17B10 1232/4885NR1I2 1899/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 MAPK1 739/4885HSD17B10 1422/4885NR1I2 1323/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT MAPK1 2328/4885HSD17B10 1335/4885NR1I2 2436/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB MAPK1 1456/4885HSD17B10 1232/4885NR1I2 1899/4885

“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.