SCHEMBL6324816

SCHEMBL6324816

Nc1onc(-c2coc3ccccc23)c1C(=O)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.39
SIRT6 Q8N6T7 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA7 P43166 2/20 0.38
TACR3 P29371 6/20 0.36
IKBKE Q14164 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
HTT P42858 1/20 0.36
STAT3 P40763 1/20 0.36
PSMB5 P28074 1/20 0.35
HPGDS O60760 2/20 0.35
GRK2 P25098 1/20 0.35
TACR2 P21452 1/20 0.35

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
SCHEMBL6317875 0.89 L3MBTL1 (0.52) ALDH1A1L3MBTL1HTT
SCHEMBL6321748 0.86 TACR3 (0.42) ALDH1A1TACR3HTTPSMB5TACR2
SCHEMBL6323394 0.85 L3MBTL1 (0.37) ALDH1A1L3MBTL1CA1CA2CA4
SCHEMBL6324905 0.84 TAS1R3 (0.42) ALDH1A1L3MBTL1CA1CA2CA4
SCHEMBL6319091 0.83 EPHX2 (0.43) ALDH1A1
SCHEMBL6316505 0.83 RAB9A (0.42) ALDH1A1L3MBTL1TACR3HTTTACR2
SCHEMBL6323271 0.82 ACACB (0.37) L3MBTL1CA1CA2CA4CA7
SCHEMBL6324110 0.81 MAPT (0.50) ALDH1A1L3MBTL1CA1CA2CA4
SCHEMBL6317238 0.81 L3MBTL1 (0.44) ALDH1A1L3MBTL1CA1CA2CA4
SCHEMBL6323650 0.81 KMT2A (0.47) ALDH1A1HTT

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 ALDH1A1 4444/4885L3MBTL1 4176/4885SIRT6 3078/4885

“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.