SCHEMBL1129588

SCHEMBL1129588

COc1ccccc1-n1c(S)nc2ccccc2c1=O

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.68
TP53 P04637 2/20 0.64
LMNA P02545 2/20 0.64
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
MAPT P10636 3/20 0.61
ALDH1A1 P00352 3/20 0.60
MAPK1 P28482 1/20 0.60
THRB P10828 1/20 0.55
TSHR P16473 1/20 0.54
JUN P05412 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL1129529 0.86 MAPT (0.52) L3MBTL1TP53LMNAMEN1KMT2A
SCHEMBL1129745 0.86 L3MBTL1 (0.55) L3MBTL1TP53LMNAMEN1KMT2A
SCHEMBL1129420 0.86 L3MBTL1 (0.55) L3MBTL1TP53LMNAMEN1KMT2A
SCHEMBL1129305 0.85 HPGD (0.50) L3MBTL1TP53LMNAMEN1KMT2A
SCHEMBL1129814 0.83 NTSR1 (0.49) L3MBTL1TP53LMNAMEN1KMT2A
SCHEMBL30193213 0.82 MEN1 (0.56) L3MBTL1TP53LMNAMEN1KMT2A
SCHEMBL5025872 0.82 MEN1 (0.56) L3MBTL1TP53LMNAMEN1KMT2A
SCHEMBL1129587 0.82 PIK3CG (0.51) L3MBTL1TP53LMNAMEN1KMT2A
SCHEMBL5028779 0.81 ALDH1A1 (0.73) L3MBTL1TP53LMNAMEN1KMT2A
SCHEMBL14978829 0.80 L3MBTL1 (0.49) L3MBTL1TP53LMNAMEN1KMT2A

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 9 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-8450333-B2 Molecules for regulating cell death THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-28 US disclosed
US-8450333-B2 Molecules for regulating cell death THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-28 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
US-20080287473-A1 NOVEL MOLECULES FOR REGULATING CELL DEATH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-11-20 US disclosed
US-20080287473-A1 NOVEL MOLECULES FOR REGULATING CELL DEATH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-11-20 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 (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-20080287473-A1 NOVEL MOLECULES FOR REGULATING CELL DEATH AIFM1, BAX, HSPE1 L3MBTL1 421/4885TP53 101/4885LMNA 1467/4885
US-20110160231-A1 DIHYDROOROTATE DEHYDROGENASE AS ANTIFUNGAL DRUG TARGET AND QUINAZOLINONE-BASED INHIBITORS THEREOF DHODH, DHRS9, DLD L3MBTL1 4206/4885TP53 1452/4885LMNA 4570/4885

“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.