SCHEMBL6317686

SCHEMBL6317686

CCC(CC)NC(=O)c1c(-c2ccco2)noc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
TSHR P16473 3/20 0.43
ALDH1A1 P00352 7/20 0.41
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.40
PKM P14618 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
CFTR P13569 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37

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
SCHEMBL6318373 0.89 TDP1 (0.55) TDP1NPC1RAB9ATSHRALDH1A1
SCHEMBL6317889 0.85 TDP1 (0.46) TDP1NPC1RAB9ATSHRALDH1A1
SCHEMBL6317940 0.85 TDP1 (0.45) TDP1NPC1RAB9ATSHRALDH1A1
SCHEMBL6316285 0.84 RAB9A (0.46) TDP1NPC1RAB9ATSHRALDH1A1
SCHEMBL6318042 0.82 TDP1 (0.44) TDP1NPC1RAB9ATSHRALDH1A1
SCHEMBL6324336 0.82 NPC1 (0.47) TDP1NPC1RAB9ATSHRALDH1A1
SCHEMBL6322156 0.82 TDP1 (0.43) TDP1NPC1RAB9ATSHRALDH1A1
SCHEMBL6318055 0.81 ADORA2A (0.50) TDP1NPC1RAB9ATSHRALDH1A1
SCHEMBL885757 0.81 TDP1 (0.42) TDP1NPC1RAB9ATSHRALDH1A1
SCHEMBL6316427 0.81 CA1 (0.42) TDP1RAB9AALDH1A1LMNAHTT

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
CN-1549714-A Aminoisoxazole derivatives active as kinase inhibitors 2004-11-24 CN 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 TDP1 527/4885NPC1 3741/4885RAB9A 1754/4885

“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.