SCHEMBL1129744

SCHEMBL1129744

CC(C)Sc1nc2ccccc2c(=O)n1-c1ccccc1N(C)C

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
ALDH1A1 P00352 5/20 0.54
TSHR P16473 2/20 0.51
PDE7A Q13946 6/20 0.46
HTR6 P50406 1/20 0.46
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
PTGS2 P35354 1/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PDE7B Q9NP56 2/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
APLNR P35414 1/20 0.41
ELANE P08246 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
SCHEMBL1129576 0.82 ALDH1A1 (0.60) CYP1A2CYP2C9CYP2C19ALDH1A1TSHR
SCHEMBL1129424 0.82 CYP1A2 (0.57) CYP1A2CYP2C9CYP2C19ALDH1A1TSHR
SCHEMBL1129497 0.81 TP53 (0.68) CYP1A2CYP2C9CYP2C19ALDH1A1TSHR
SCHEMBL1129431 0.78 ALDH1A1 (0.49) ALDH1A1TSHRMAPTPTGS2LMNA
SCHEMBL1129811 0.74 APLNR (0.58) CYP1A2CYP2C9CYP2C19ALDH1A1TSHR
SCHEMBL1129573 0.71 APLNR (0.61) CYP1A2CYP2C9CYP2C19ALDH1A1TSHR
SCHEMBL9671584 0.69 ALDH1A1 (0.61) ALDH1A1TSHRPDE7AHTR6PTGS2
SCHEMBL1130423 0.69 APLNR (0.61) CYP1A2CYP2C9CYP2C19ALDH1A1TSHR
SCHEMBL1129052 0.69 APLNR (0.61) CYP1A2CYP2C9CYP2C19ALDH1A1TSHR
SCHEMBL9671575 0.69 PDE7A (0.66) ALDH1A1TSHRPDE7AHTR6MAPT

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 CYP1A2 233/4885CYP2C9 308/4885CYP2C19 621/4885

“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.