SCHEMBL3373516

SCHEMBL3373516

O=C(O)[C]1NCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
SRD5A2 P31213 2/20 0.41
SRD5A1 P18405 1/20 0.41
GSR P00390 2/20 0.40
TYRO3 Q06418 1/20 0.40
NTRK2 Q16620 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
PARP1 P09874 2/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
NOTUM Q6P988 1/20 0.38
PDPK1 O15530 1/20 0.37
PARP10 Q53GL7 1/20 0.37
PARP11 Q9NR21 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ALOX15 P16050 2/20 0.36

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
Bicarbonate SCHEMBL21081705 0.76 CA12 (0.84) CA12CA9TYRO3NTRK2CLK4
Bicarbonate SCHEMBL29928922 0.76 CA12 (0.84) CA12CA9TYRO3NTRK2CLK4
SCHEMBL12629638 0.72 CA12 (0.48) CA12CA9SRD5A2SRD5A1TYRO3
SCHEMBL3371709 0.70 CA12 (0.56) CA12CA9TYRO3NTRK2CLK4
SCHEMBL14581370 0.70 CA12 (0.68) CA12CA9TYRO3NTRK2CLK4
SCHEMBL4818277 0.70 CA12 (1.00) CA12CA9TYRO3NTRK2CLK4
SCHEMBL14896 0.70 CA12 (1.00) CA12CA9TYRO3NTRK2CLK4
SCHEMBL29355184 0.70 CA12 (1.00) CA12CA9TYRO3NTRK2CLK4
Trifluoroacetic Acid SCHEMBL31750107 0.69 CA12 (0.70) CA12CA9TYRO3NTRK2CLK4
Trifluoroacetic Acid SCHEMBL28324274 0.69 CA12 (0.70) CA12CA9TYRO3NTRK2CLK4

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 2 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

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 2894/4885SRD5A2 1458/4885

“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.