SCHEMBL1129569

SCHEMBL1129569

COc1ccccc1-n1c(SC(C)C)nc2cccc(OC)c2c1=O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APLNR P35414 4/20 0.60
MAPT P10636 2/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.44

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
SCHEMBL1129872 0.92 APLNR (0.56) APLNRMAPTTP53CYP1A2CYP2C9
SCHEMBL1129497 0.87 TP53 (0.68) APLNRMAPTTP53CYP1A2CYP2C9
SCHEMBL1129075 0.83 TP53 (0.64) APLNRMAPTTP53MEN1KMT2A
SCHEMBL1129573 0.80 APLNR (0.61) APLNRMAPTTP53CYP1A2CYP2C9
SCHEMBL1129052 0.80 APLNR (0.61) APLNRMAPTTP53CYP1A2CYP2C9
SCHEMBL1130423 0.80 APLNR (0.61) APLNRMAPTTP53CYP1A2CYP2C9
SCHEMBL1129305 0.79 HPGD (0.50) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL1129811 0.77 APLNR (0.58) APLNRMAPTTP53CYP1A2CYP2C9
SCHEMBL1129702 0.76 TP53 (0.60) APLNRMAPTTP53MEN1KMT2A
SCHEMBL18923515 0.73 PIK3CD (0.45) APLNRMAPTTP53MEN1KMT2A

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-20110160231-A1 DIHYDROOROTATE DEHYDROGENASE AS ANTIFUNGAL DRUG TARGET AND QUINAZOLINONE-BASED INHIBITORS THEREOF F2G LIMITED (GB) 2011-06-30 US claimed
EP-2283151-A2 DIHYDROOROTATE DEHYDROGENASE AS ANTIFUNGAL DRUG TARGET AND QUINAZOLINONE-BASED INHIBITORS THEREOF F2G Limited (GB) 2011-02-16 EP claimed
WO-2009133379-A2 ANTIFUNGAL TARGET F2G LIMITED (GB) 2009-11-05 WO claimed
EP-2283151-B1 DIHYDROOROTATE DEHYDROGENASE AS ANTIFUNGAL DRUG TARGET F2G LTD (GB) 2017-03-08 EP disclosed
US-9034887-B2 Dihydroorotate dehydrogenase as antifungal drug target and quinazolinone-based inhibitors thereof F2G LIMITED (GB) 2015-05-19 US disclosed
US-20110160231-A1 DIHYDROOROTATE DEHYDROGENASE AS ANTIFUNGAL DRUG TARGET AND QUINAZOLINONE-BASED INHIBITORS THEREOF F2G LIMITED (GB) 2011-06-30 US disclosed
EP-2283151-A2 DIHYDROOROTATE DEHYDROGENASE AS ANTIFUNGAL DRUG TARGET AND QUINAZOLINONE-BASED INHIBITORS THEREOF F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009133379-A2 ANTIFUNGAL TARGET F2G LIMITED (GB) 2009-11-05 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 (1 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-20110160231-A1 DIHYDROOROTATE DEHYDROGENASE AS ANTIFUNGAL DRUG TARGET AND QUINAZOLINONE-BASED INHIBITORS THEREOF DHODH, DHRS9, DLD APLNR 4762/4885MAPT 3046/4885TP53 1452/4885

“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.