SCHEMBL6325907

SCHEMBL6325907

Nc1ccc2c(=O)c3ccccc3[nH]c2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.69
CCND1 P24385 1/20 0.69
GAA P10253 3/20 0.67
ALDH1A1 P00352 3/20 0.67
KDM4E B2RXH2 2/20 0.67
GLA P06280 2/20 0.67
HTT P42858 2/20 0.67
LMNA P02545 1/20 0.67
HPGD P15428 1/20 0.67
ATM Q13315 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
POLB P06746 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
PARP1 P09874 2/20 0.54
NPC1 O15118 1/20 0.54
CASP6 P55212 1/20 0.54
MAOA P21397 1/20 0.53
CTSV O60911 2/20 0.51

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
SCHEMBL5332607 0.90 PARP1 (0.62) CDK4CCND1GAAALDH1A1KDM4E
SCHEMBL31312450 0.90 PARP1 (0.62) CDK4CCND1GAAALDH1A1KDM4E
SCHEMBL29360002 0.89 GAA (0.67) CDK4CCND1GAAALDH1A1KDM4E
SCHEMBL354414 0.89 GAA (0.67) CDK4CCND1GAAALDH1A1KDM4E
SCHEMBL29423967 0.89 GAA (0.67) CDK4CCND1GAAALDH1A1KDM4E
SCHEMBL30235013 0.88 CDK4 (0.79) CDK4CCND1ALDH1A1KDM4EPARP1
SCHEMBL1181826 0.88 CDK4 (0.79) CDK4CCND1ALDH1A1KDM4EPARP1
SCHEMBL5335867 0.87 PARP1 (0.59) CDK4CCND1GAAALDH1A1KDM4E
SCHEMBL31473178 0.87 PARP1 (0.59) CDK4CCND1GAAALDH1A1KDM4E
Hydrochloric Acid SCHEMBL6432050 0.86 CDK4 (0.76) CDK4CCND1ALDH1A1KDM4EPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124664-A1 Urea thiadiazole inhibitors of plasminogen activator inhibior-1 BRISTOL-MYERS SQUIBB CO. 2005-06-09 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 (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-20050124664-A1 Urea thiadiazole inhibitors of plasminogen activator inhibior-1 SERPINE1, SERPINC1, SERPINB1 CDK4 506/4885CCND1 191/4885GAA 2065/4885

“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.