SCHEMBL6316739

SCHEMBL6316739

Cc1nn(-c2ccccc2)c(C)c1-c1noc(NC(=O)CCc2ccccc2)c1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MAPK14 Q16539 2/20 0.44
ABCB1 P08183 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KLK6 Q92876 1/20 0.41
TSHR P16473 1/20 0.41
TAS2R8 Q9NYW2 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
ESR2 Q92731 1/20 0.40
FLT3 P36888 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
HCAR2 Q8TDS4 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
SCHEMBL6315448 0.90 ALDH1A1 (0.43) NPC1RAB9AABCB1ALDH1A1LMNA
SCHEMBL6317893 0.89 ALDH1A1 (0.42) NPC1RAB9AALDH1A1LMNAHTT
SCHEMBL27609876 0.88 MAPK14 (0.43) NPC1RAB9AMAPK14ABCB1ALDH1A1
SCHEMBL6315392 0.86 ALDH1A1 (0.43) NPC1RAB9AALDH1A1LMNAHTT
SCHEMBL6316563 0.86 ALDH1A1 (0.43) NPC1RAB9AALDH1A1LMNAHTT
SCHEMBL6322831 0.86 NPC1 (0.47) NPC1RAB9AALDH1A1LMNAHTT
SCHEMBL6316212 0.85 ALDH1A1 (0.44) NPC1RAB9AALDH1A1LMNAHTT
SCHEMBL6316557 0.84 LMNA (0.50) NPC1RAB9AALDH1A1LMNAHTT
SCHEMBL27609926 0.84 HCAR2 (0.44) NPC1RAB9AMAPK14ABCB1ALDH1A1
SCHEMBL6322626 0.83 NPC1 (0.48) NPC1RAB9AALDH1A1LMNAHTT

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-20050228018-A1 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-10-13 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 NPC1 3741/4885RAB9A 1754/4885MAPK14 111/4885
US-20050228018-A1 Chemical compounds CMA1, TPSB2, TPSG1 NPC1 806/4885RAB9A 1607/4885MAPK14 2151/4885

“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.