SCHEMBL1129535

SCHEMBL1129535

CC(C)c1ccccc1-n1c(S)nc2ccccc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
LMNA P02545 5/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
SMN1; SMN2 Q16637 6/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 4/20 0.46
HTT P42858 3/20 0.46
IDO1 P14902 2/20 0.46
TDO2 P48775 2/20 0.46
IDO2 Q6ZQW0 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
NTRK1 P04629 1/20 0.46
ALOX5 P09917 1/20 0.46
PTGS2 P35354 1/20 0.46
MAPK8 P45983 1/20 0.46
RAB9A P51151 1/20 0.46
NTRK2 Q16620 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
POLB P06746 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
SCHEMBL5028779 0.81 ALDH1A1 (0.73) ALDH1A1LMNAL3MBTL1SMN1; SMN2TP53
SCHEMBL1129424 0.80 CYP1A2 (0.57) ALDH1A1LMNAL3MBTL1SMN1; SMN2TP53
SCHEMBL1129120 0.80 ALDH1A1 (0.54) ALDH1A1LMNAL3MBTL1SMN1; SMN2TP53
SCHEMBL9670692 0.80 LMNA (0.58) ALDH1A1LMNAL3MBTL1SMN1; SMN2TP53
SCHEMBL5028796 0.78 LMNA (0.57) ALDH1A1LMNAL3MBTL1SMN1; SMN2TP53
SCHEMBL1129523 0.78 PDE7A (0.67) ALDH1A1LMNASMN1; SMN2TP53MAPT
SCHEMBL1129431 0.78 ALDH1A1 (0.49) ALDH1A1LMNAL3MBTL1SMN1; SMN2MAPT
SCHEMBL1129588 0.78 L3MBTL1 (0.68) ALDH1A1LMNAL3MBTL1SMN1; SMN2TP53
SCHEMBL9670555 0.76 NPC1 (0.58) ALDH1A1LMNAL3MBTL1SMN1; SMN2MAPT
SCHEMBL5028773 0.75 ALDH1A1 (0.71) ALDH1A1LMNAL3MBTL1SMN1; SMN2MAPT

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 ALDH1A1 109/4885LMNA 4570/4885L3MBTL1 4206/4885

“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.