SCHEMBL423552

SCHEMBL423552

COC(=O)c1ccc(C(C)=O)nc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
TDP1 Q9NUW8 2/20 0.45
POLB P06746 1/20 0.45
GAA P10253 4/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK4 Q16654 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 3/20 0.38

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
SCHEMBL31003881 0.86 TDP1 (0.53) PDCD1CD274TDP1POLBGAA
SCHEMBL22660201 0.86 TDP1 (0.53) PDCD1CD274TDP1POLBGAA
SCHEMBL17878824 0.79 SMN1; SMN2 (0.44) GAACA12CA1CA2CA7
SCHEMBL14967079 0.79 ALDH1A1 (0.45) GAACA12CA1CA2CA7
SCHEMBL11605385 0.79 TDP1 (0.71) PDCD1CD274TDP1POLBGAA
SCHEMBL2027363 0.79 PDCD1 (0.52) PDCD1CD274TDP1POLBGAA
SCHEMBL31214330 0.79 PDCD1 (0.49) PDCD1CD274TDP1POLBGAA
SCHEMBL426830 0.77 TUBB4A (0.55) PDCD1CD274TDP1POLBGAA
SCHEMBL426998 0.77 TDP1 (0.50) PDCD1CD274TDP1POLBGAA
SCHEMBL4768119 0.77 PDCD1 (0.48) PDCD1CD274TDP1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417121-A1 4, 5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES Pfizer Inc. (US) 2012-02-15 EP disclosed
US-20120022058-A1 4,5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES PFIZER INC. 2012-01-26 US disclosed
WO-2010116282-A1 4, 5-DIHYDRO-LH-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES PFIZER INC. (US) 2010-10-14 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-20120022058-A1 4,5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES NR3C2, REN, AGTR1 PDCD1 4400/4885CD274 4667/4885TDP1 4559/4885

“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.