SCHEMBL4716100

SCHEMBL4716100

NCCCn1nc(-c2ccc(O)cc2)cc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.48
GABRB2 P47870 5/20 0.48
MAPKAPK2 P49137 1/20 0.45
MARS1 P56192 3/20 0.41
HDAC3 O15379 5/20 0.40
HDAC4 P56524 5/20 0.40
HDAC1 Q13547 5/20 0.40
HDAC7 Q8WUI4 5/20 0.40
HDAC2 Q92769 5/20 0.40
HDAC10 Q969S8 5/20 0.40
HDAC11 Q96DB2 5/20 0.40
HDAC8 Q9BY41 5/20 0.40
HDAC6 Q9UBN7 5/20 0.40
HDAC9 Q9UKV0 5/20 0.40
HDAC5 Q9UQL6 5/20 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
CA12 O43570 1/20 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
Hydrochloric Acid SCHEMBL4717533 0.99 GABRA1 (0.47) GABRA1GABRB2MAPKAPK2MARS1HDAC3
SCHEMBL14188353 0.91 MAPKAPK2 (0.58) GABRA1GABRB2MAPKAPK2MARS1HDAC3
Hydrochloric Acid SCHEMBL4718376 0.90 MAPKAPK2 (0.57) GABRA1GABRB2MAPKAPK2MARS1HDAC3
SCHEMBL5000205 0.86 MAPKAPK2 (0.50) GABRA1GABRB2MAPKAPK2MARS1HDAC3
SCHEMBL14188462 0.86 GABRA1 (0.53) GABRA1GABRB2MAPKAPK2PDE4APDE4B
Hydrochloric Acid SCHEMBL4716157 0.84 GABRA1 (0.51) GABRA1GABRB2MAPKAPK2PDE4APDE4B
Trifluoroacetic Acid SCHEMBL4715091 0.80 GABRA1 (0.47) GABRA1GABRB2MAPKAPK2PDE4BGABRP
SCHEMBL4790569 0.78 MAPKAPK2 (0.57) MAPKAPK2MARS1HDAC1SMN1; SMN2
SCHEMBL4712817 0.78 MAPKAPK2 (0.55) GABRA1GABRB2MAPKAPK2HDAC1HDAC2
SCHEMBL4716306 0.78 MAPKAPK2 (0.57) MAPKAPK2MARS1HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 US disclosed
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 US disclosed
EP-1572682-A4 ACYCLIC PYRAZOLE COMPOUNDS PHARMACIA CORP (US) 2008-01-23 EP disclosed
EP-1572682-A2 ACYCLIC PYRAZOLE COMPOUNDS Pharmacia Corporation (US) 2005-09-14 EP disclosed
WO-2004058176-A2 ACYCLIC PYRAZOLE COMPOUNDS PHARMACIA CORPORATION (US) 2004-07-15 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-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS MKNK2, MAPKAPK2, MAP3K2 GABRA1 3840/4885GABRB2 2977/4885MAPKAPK2 2/4885

“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.