SCHEMBL6316754

SCHEMBL6316754

Nc1onc(-c2ccc(-c3cccc(Cl)c3)o2)c1C(=O)NC1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.62
RAB9A P51151 10/20 0.62
TRPV1 Q8NER1 1/20 0.52
CNR2 P34972 1/20 0.50
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MLLT1 Q03111 2/20 0.46
MLLT3 P42568 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
S1PR1 P21453 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.45
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL6321193 1.00 NPC1 (0.62) NPC1RAB9ATRPV1CNR2ALDH1A1
SCHEMBL6317385 0.99 NPC1 (0.61) NPC1RAB9ATRPV1CNR2ALDH1A1
SCHEMBL6318467 0.97 NPC1 (0.59) NPC1RAB9ATRPV1CNR2ALDH1A1
SCHEMBL6318132 0.87 TAS1R3 (0.48) NPC1RAB9ATRPV1ALDH1A1KDM4E
SCHEMBL6324636 0.86 TRPV1 (0.48) NPC1RAB9ATRPV1ALDH1A1MLLT1
SCHEMBL6321455 0.86 TRPV1 (0.48) NPC1RAB9ATRPV1ALDH1A1MLLT1
SCHEMBL6316737 0.85 SIGMAR1 (0.51) NPC1RAB9AALDH1A1L3MBTL1KMT2A
SCHEMBL6317811 0.85 TRPV1 (0.48) NPC1RAB9ATRPV1ALDH1A1MLLT1
SCHEMBL6318922 0.84 SMN1; SMN2 (0.48) NPC1RAB9ACNR2ALDH1A1KDM4E
SCHEMBL6318801 0.84 CA1 (0.55) NPC1RAB9AMLLT1MLLT3L3MBTL1

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 NPC1 3741/4885RAB9A 1754/4885TRPV1 4383/4885

“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.