SCHEMBL6316737

SCHEMBL6316737

Nc1onc(-c2ccc(-c3cccc(Cl)c3)o2)c1C(=O)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
SLC6A12 P48065 1/20 0.49
DRD4 P21917 2/20 0.48
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAOB P27338 1/20 0.47
ACKR3 P25106 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
PRKD3 O94806 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
PRKD1 Q15139 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PRKD2 Q9BZL6 1/20 0.45
PRKAA2 P54646 1/20 0.45

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
SCHEMBL6317927 0.87 L3MBTL1 (0.53) SIGMAR1L3MBTL1SLC6A12MAPK1MAOB
SCHEMBL6318467 0.86 NPC1 (0.59) L3MBTL1NPC1RAB9AKMT2AMEN1
SCHEMBL6317385 0.86 NPC1 (0.61) L3MBTL1NPC1RAB9AKMT2AMEN1
SCHEMBL6316754 0.85 NPC1 (0.62) L3MBTL1NPC1RAB9AKMT2AMEN1
SCHEMBL6321193 0.85 NPC1 (0.62) L3MBTL1NPC1RAB9AKMT2AMEN1
SCHEMBL6321658 0.85 L3MBTL1 (0.52) SIGMAR1L3MBTL1MAOBACKR3KMT2A
SCHEMBL6318922 0.84 SMN1; SMN2 (0.48) MAPK1NPC1RAB9AKMT2AMEN1
SCHEMBL6319732 0.81 MAPT (0.63) L3MBTL1MAPTKMT2AMEN1ALDH1A1
SCHEMBL6321448 0.81 L3MBTL1 (0.53) SIGMAR1L3MBTL1SLC6A12MAPK1ACKR3
SCHEMBL6321262 0.79 MAPT (0.56) L3MBTL1MAPTMAPK1KMT2AMEN1

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
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-20050288257-A1 Novel stable compositions of water and oxygen sensitive compounds and their method of preparation NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2005-12-29 US disclosed
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 (2 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 SIGMAR1 4718/4885L3MBTL1 4176/4885SLC6A12 4865/4885
US-20050288257-A1 Novel stable compositions of water and oxygen sensitive compounds and their method of preparation COXFA4L2, CYP2F1, ABCG2 SIGMAR1 298/4885L3MBTL1 4766/4885SLC6A12 3823/4885

“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.