SCHEMBL1129523

SCHEMBL1129523

CCSc1nc2ccccc2c(=O)n1-c1ccccc1C(C)C

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 9/20 0.67
TP53 P04637 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
MAPT P10636 2/20 0.56
ALDH1A1 P00352 3/20 0.54
LMNA P02545 1/20 0.54
TSHR P16473 2/20 0.51
PDE7B Q9NP56 1/20 0.50
HTR6 P50406 1/20 0.48
PTGS2 P35354 1/20 0.47

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
SCHEMBL1129424 0.85 CYP1A2 (0.57) PDE7ATP53SMN1; SMN2MAPTALDH1A1
SCHEMBL1129585 0.85 PDE7A (0.73) PDE7ATP53SMN1; SMN2MAPTALDH1A1
SCHEMBL18239988 0.80 PDE7A (1.00) PDE7ASMN1; SMN2ALDH1A1TSHRPDE7B
SCHEMBL1129535 0.78 ALDH1A1 (0.49) TP53SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL18239974 0.76 PDE7A (0.85) PDE7ASMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL1129576 0.75 ALDH1A1 (0.60) PDE7ATP53MAPTALDH1A1LMNA
SCHEMBL18239989 0.75 PDE7A (1.00) PDE7ATP53SMN1; SMN2MAPTALDH1A1
SCHEMBL15195139 0.73 PDE7A (0.68) PDE7ASMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL8986839 0.73 PDE7A (0.68) PDE7ASMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL5026021 0.73 PDE7A (0.79) PDE7ASMN1; SMN2MAPTALDH1A1LMNA

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 PDE7A 943/4885TP53 1452/4885SMN1; SMN2 4877/4885

“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.