SCHEMBL1129587

SCHEMBL1129587

COc1ccccc1-n1c(S)nc2cccc(C)c2c1=O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
PIK3CD O00329 3/20 0.49
HPGD P15428 3/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.45
TP53 P04637 2/20 0.45
LMNA P02545 2/20 0.45
ESR1 P03372 1/20 0.44
ELANE P08246 2/20 0.42
THRB P10828 1/20 0.41

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
SCHEMBL1129305 0.91 HPGD (0.50) PIK3CGL3MBTL1HPGDMAPTALDH1A1
SCHEMBL16596974 0.87 ALDH1A1 (0.53) PIK3CGL3MBTL1PIK3CDHPGDMAPT
SCHEMBL16596953 0.84 L3MBTL1 (0.72) PIK3CGL3MBTL1PIK3CDHPGDMAPT
SCHEMBL1129588 0.82 L3MBTL1 (0.68) L3MBTL1MAPTALDH1A1MEN1KMT2A
SCHEMBL1129872 0.80 APLNR (0.56) PIK3CGL3MBTL1PIK3CDHPGDMAPT
SCHEMBL1129702 0.80 TP53 (0.60) PIK3CGL3MBTL1PIK3CDMAPTALDH1A1
SCHEMBL9670318 0.79 PIK3CD (0.49) PIK3CGL3MBTL1PIK3CDHPGDALDH1A1
SCHEMBL1129745 0.77 L3MBTL1 (0.55) L3MBTL1MAPTALDH1A1MEN1KMT2A
SCHEMBL1129420 0.77 L3MBTL1 (0.55) L3MBTL1MAPTALDH1A1MEN1KMT2A
SCHEMBL18199848 0.75 ALDH1A1 (0.50) PIK3CGL3MBTL1HPGDMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PIK3CG 3352/4885L3MBTL1 4206/4885PIK3CD 3188/4885

“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.