SCHEMBL1523023

SCHEMBL1523023

O=c1ccn(Cc2ccccc2)c(=O)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
CYP2D6 P10635 1/20 0.47
MIF P14174 1/20 0.46
CTRC Q99895 2/20 0.45
F2 P00734 1/20 0.45
PLG P00747 1/20 0.45
ELANE P08246 1/20 0.45
CTSG P08311 1/20 0.45
CMA1 P23946 1/20 0.45
MAPK14 Q16539 5/20 0.45
NOTUM Q6P988 1/20 0.45
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
GSK3A P49840 2/20 0.42

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
SCHEMBL9731061 0.74 F2 (0.47) KDM4EHTTSMN1; SMN2TP53CYP2D6
SCHEMBL22252624 0.74 HPGD (0.49) KDM4EHTTSMN1; SMN2TP53CYP2D6
SCHEMBL29721369 0.73 LMNA (0.48) KDM4EHTTSMN1; SMN2TP53CYP2D6
SCHEMBL8725302 0.73 ASAH1 (0.46) KDM4EMIFCTRCF2PLG
SCHEMBL4680991 0.70 HPGD (0.49) HTTSMN1; SMN2MIFMAPK14ALDH1A1
SCHEMBL1768170 0.69 POLB (0.61) KDM4EHTTSMN1; SMN2TP53CYP2D6
SCHEMBL6764108 0.69 MEN1 (0.48) HTTMIFCTRCF2PLG
SCHEMBL6757710 0.69 MAPK14 (0.49) HTTSMN1; SMN2MIFELANEMAPK14
SCHEMBL6759650 0.68 HPGD (0.47) KDM4EHTTSMN1; SMN2MIFMAPK14
Hydrochloric Acid SCHEMBL9523272 0.68 KDM4E (0.60) KDM4EHTTSMN1; SMN2TP53CYP2D6

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-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 (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-20040097492-A1 Anti-infective agents POLR1C, RPL5, POLB KDM4E 4352/4885HTT 4085/4885SMN1; SMN2 4247/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 KDM4E 4075/4885HTT 4340/4885SMN1; SMN2 4384/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT KDM4E 3897/4885HTT 3990/4885SMN1; SMN2 4604/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB KDM4E 4352/4885HTT 4085/4885SMN1; SMN2 4247/4885

“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.