SCHEMBL6317412

SCHEMBL6317412

CCCCC(CC)CNC(=O)c1c(-c2ccc(OC)nc2)noc1N

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 9/20 0.42
GABRA5 P31644 2/20 0.42
TSHR P16473 4/20 0.39
HTT P42858 2/20 0.39
GLA P06280 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 2/20 0.37
GAA P10253 2/20 0.37
POLB P06746 2/20 0.37
CD274 Q9NZQ7 1/20 0.36
SMN1; SMN2 Q16637 1/20 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
SCHEMBL6315289 0.86 RAB9A (0.46) GABRA1GABRA5TSHRHTTL3MBTL1
SCHEMBL6323798 0.85 GAA (0.45) GABRA1GABRA5TSHRL3MBTL1LMNA
SCHEMBL6323900 0.85 GABRA1 (0.51) GABRA1GABRA5TSHRLMNARAB9A
SCHEMBL6316456 0.84 GAA (0.44) GABRA1GABRA5TSHRLMNARAB9A
SCHEMBL6319295 0.84 GAA (0.44) GABRA1GABRA5TSHRLMNARAB9A
SCHEMBL6620607 0.83 GABRA1 (0.47) GABRA1GABRA5TSHRLMNARAB9A
SCHEMBL6317397 0.82 TSHR (0.43) GABRA5TSHRHTTGLAL3MBTL1
SCHEMBL6316368 0.81 GABRA1 (0.46) GABRA1GABRA5TSHRLMNARAB9A
SCHEMBL6324357 0.81 RAB9A (0.42) GABRA1GABRA5TSHRHTTLMNA
SCHEMBL6316655 0.81 GABRA1 (0.49) GABRA1GABRA5TSHRLMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US claimed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP claimed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO claimed
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US disclosed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP disclosed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 GABRA1 886/4885GABRA5 742/4885TSHR 3971/4885

“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.