SCHEMBL4772527

SCHEMBL4772527

COC(=O)c1nc(Br)c(Cl)cc1N

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 6/20 0.45
KDM4E B2RXH2 6/20 0.44
PKM P14618 2/20 0.44
RCE1 Q9Y256 1/20 0.44
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
ABL1 P00519 1/20 0.41
CFTR P13569 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
S1PR4 O95977 1/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 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
SCHEMBL23628471 0.83 NQO2 (0.47) NQO2KDM4EPKMRCE1GAA
SCHEMBL25359695 0.83 NPSR1 (0.45) KDM4EPKMRCE1GAANPSR1
SCHEMBL14145457 0.82 NQO2 (0.46) NQO2KDM4EPKMRCE1GAA
SCHEMBL18405257 0.82 NPSR1 (0.44) KDM4EPKMRCE1GAANPSR1
SCHEMBL31752450 0.82 NPSR1 (0.44) KDM4EPKMRCE1GAANPSR1
SCHEMBL25096003 0.81 NPSR1 (0.42) NQO2KDM4EPKMRCE1GAA
SCHEMBL23364116 0.81 GAA (0.46) NQO2KDM4EPKMRCE1GAA
SCHEMBL318846 0.81 CFTR (0.44) KDM4EGAANPSR1CFTRSMN1; SMN2
SCHEMBL30218091 0.81 NPSR1 (0.42) NQO2KDM4EPKMRCE1GAA
SCHEMBL2373012 0.77 CFTR (0.70) CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170281627-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2017-10-05 US disclosed
US-20170281627-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2017-10-05 US disclosed
EP-1732933-B1 COMPOUNDS FOR TREATING DYSLIPIDEMIA LILLY CO ELI (US) 2008-07-23 EP disclosed
US-20070208003-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY 2007-09-06 US disclosed
US-20070208003-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY 2007-09-06 US disclosed
US-20070208003-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY 2007-09-06 US disclosed
EP-1732933-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2006-12-20 EP disclosed
WO-2005097805-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2005-10-20 WO 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 (2 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-20170281627-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 NQO2 3071/4885KDM4E 1694/4885PKM 1390/4885
US-20070208003-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA PCSK9, LIPC, APOB NQO2 778/4885KDM4E 1101/4885PKM 533/4885

“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.