SCHEMBL3371709

SCHEMBL3371709

O[C]1NCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.56
CA9 Q16790 1/20 0.56
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PARP1 P09874 2/20 0.38
PDPK1 O15530 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP11 Q9NR21 1/20 0.38
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TYRO3 Q06418 1/20 0.36
NTRK2 Q16620 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
METAP2 P50579 1/20 0.35
CES1 P23141 1/20 0.34
MAOA P21397 1/20 0.34
HTR5A P47898 2/20 0.34
AURKA O14965 2/20 0.34
KDR P35968 2/20 0.34

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
SCHEMBL21591655 0.77 PARP1 (0.59) CA12CA9PARP1PDPK1PARP10
SCHEMBL29355184 0.71 CA12 (1.00) CA12CA9PARP1PDPK1PARP10
SCHEMBL89255 0.71 CA12 (0.56) CA12CA9ALOX15HSD17B10PARP1
SCHEMBL14581370 0.71 CA12 (0.68) CA12CA9ALOX15HSD17B10PARP1
Dihydrophenanthridine SCHEMBL29791568 0.71 CA12 (0.56) CA12CA9ALOX15HSD17B10PARP1
SCHEMBL13896338 0.71 CA12 (0.56) CA12CA9ALOX15HSD17B10PARP1
SCHEMBL14896 0.71 CA12 (1.00) CA12CA9PARP1PDPK1PARP10
SCHEMBL162748 0.71 CA12 (0.56) CA12CA9ALOX15HSD17B10PARP1
SCHEMBL4818277 0.71 CA12 (1.00) CA12CA9PARP1PDPK1PARP10
Dihydrophenanthridine SCHEMBL2087461 0.71 CA12 (0.56) CA12CA9ALOX15HSD17B10PARP1

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
US-20100324091-A1 Pyrazolone Derivative KOWA COMPANY, LTD. (JP) 2010-12-23 US disclosed
EP-2172458-A1 PYRAZOLONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-04-07 EP disclosed
CN-1713905-A Selective cytokine inhibitory drugs for treating myelodysplastic syndrome CELGENE CORP (US) 2005-12-28 CN 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-20100324091-A1 Pyrazolone Derivative SERPINE1, SERPINC1, TFPI CA12 4035/4885CA9 2894/4885ALOX15 1255/4885

“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.