SCHEMBL1523080

SCHEMBL1523080

O=C1c2ccccc2C(=O)N1CCn1c(=O)c(C2=NS(O)(O)c3ccccc3N2)c(O)c2cccnc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.44
MAPK1 P28482 1/20 0.44
NR1I2 O75469 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 2/20 0.34
CNR2 P34972 6/20 0.34
CNR1 P21554 4/20 0.34
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
PDE10A Q9Y233 1/20 0.33
LMNA P02545 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL1523082 0.91 MAPK1 (0.54) HSD17B10MAPK1NR1I2CYP2C9ALDH1A1
SCHEMBL1376816 0.87 MAPK1 (0.46) HSD17B10MAPK1NR1I2CYP2C9CNR2
SCHEMBL1522653 0.86 MAPK1 (0.46) HSD17B10MAPK1NR1I2CYP2C9ALDH1A1
SCHEMBL1377327 0.85 MAPK1 (0.45) HSD17B10MAPK1NR1I2CYP2C9CNR2
SCHEMBL1523006 0.85 MAPK1 (0.47) HSD17B10MAPK1NR1I2CYP2C9ALDH1A1
SCHEMBL1522776 0.85 HSD17B10 (0.47) HSD17B10MAPK1NR1I2CYP2C9ALDH1A1
SCHEMBL1522313 0.85 MAPK1 (0.53) HSD17B10MAPK1NR1I2CYP2C9ALDH1A1
SCHEMBL1522405 0.83 MAPK1 (0.46) HSD17B10MAPK1NR1I2CYP2C9CNR2
SCHEMBL1522476 0.83 CNR2 (0.47) HSD17B10MAPK1NR1I2CYP2C9ALDH1A1
SCHEMBL1522582 0.83 MAPK1 (0.45) HSD17B10MAPK1NR1I2CYP2C9CNR2

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 11 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
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 HSD17B10 1232/4885MAPK1 1456/4885NR1I2 1899/4885
US-20040162285-A1 Anti-infective agents POLR1C, RPL5, POLB HSD17B10 1232/4885MAPK1 1456/4885NR1I2 1899/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 HSD17B10 1422/4885MAPK1 739/4885NR1I2 1323/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT HSD17B10 1335/4885MAPK1 2328/4885NR1I2 2436/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB HSD17B10 1232/4885MAPK1 1456/4885NR1I2 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.