SCHEMBL6316487

SCHEMBL6316487

Nc1onc(-c2ccc(-c3cccc(Cl)c3)o2)c1C(=O)NCC1CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.49
MLLT1 Q03111 1/20 0.48
CHRM1 P11229 9/20 0.48
HIF1A Q16665 1/20 0.47
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM3 P20309 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
USP30 Q70CQ3 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL6318810 0.89 RAB9A (0.52) NPC1RAB9APOLB
SCHEMBL6315890 0.86 MLLT1 (0.46) GABRA5MLLT1HIF1ANPSR1
SCHEMBL6316611 0.85 RAB9A (0.48) NPC1RAB9APOLB
SCHEMBL6317385 0.84 NPC1 (0.61) MLLT1NPC1RAB9A
SCHEMBL6318467 0.84 NPC1 (0.59) GABRA5MLLT1NPC1RAB9A
SCHEMBL6315859 0.84 RAB9A (0.44) NPC1RAB9APOLB
SCHEMBL6316754 0.83 NPC1 (0.62) MLLT1NPC1RAB9A
SCHEMBL6318878 0.83 ALDH1A1 (0.51) NPC1RAB9A
SCHEMBL6321193 0.83 NPC1 (0.62) MLLT1NPC1RAB9A
SCHEMBL6315988 0.83 ALDH1A1 (0.51) HIF1ANPC1RAB9A

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 7 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
CN-1549714-A Aminoisoxazole derivatives active as kinase inhibitors 2004-11-24 CN 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 GABRA5 742/4885MLLT1 1316/4885CHRM1 4401/4885

“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.