SCHEMBL6316738

SCHEMBL6316738

Nc1onc(-c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1C(=O)NCCCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ASAH1 Q13510 3/20 0.44
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 1/20 0.41
SLC9A1 P19634 1/20 0.40
SLC6A5 Q9Y345 1/20 0.40
MLYCD O95822 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL6316453 0.97 FAAH (0.53) FAAHL3MBTL1HDAC1HDAC6ASAH1
SCHEMBL6315995 0.94 FAAH (0.46) FAAHL3MBTL1MAPTHPGDKDM4E
SCHEMBL6321584 0.89 HDAC1 (0.46) HDAC1HDAC6HPGDKDM4EPOLB
SCHEMBL6317464 0.89 HPGD (0.46) MAPTHPGDKDM4EPOLBGAA
SCHEMBL6323801 0.88 HDAC6 (0.47) HDAC1HDAC6HPGDKDM4EPOLB
SCHEMBL6318133 0.88 HDAC6 (0.47) HDAC1HDAC6HPGDKDM4EPOLB
SCHEMBL6318701 0.88 HDAC6 (0.47) HDAC1HDAC6HPGDKDM4EPOLB
SCHEMBL6321262 0.88 MAPT (0.56) FAAHL3MBTL1ASAH1MAPTPOLB
SCHEMBL6321953 0.88 CASP6 (0.47) HDAC1HDAC6HPGDKDM4EPOLB
SCHEMBL6316426 0.87 MAPT (0.47) HDAC1HDAC6MAPTHPGDKDM4E

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 FAAH 3651/4885L3MBTL1 4176/4885HDAC1 907/4885

“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.