SCHEMBL6323987

SCHEMBL6323987

CC1CCCCC1NC(=O)c1c(-c2ccco2)noc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 11/20 0.48
TAS1R1 Q7RTX1 11/20 0.48
TAS1R2 Q8TE23 11/20 0.48
ALDH1A1 P00352 1/20 0.43
POLB P06746 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
PTPN7 P35236 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
CASP7 P55210 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6324204 0.85 NPC1 (0.59) ALDH1A1POLBNPC1RAB9ATSHR
SCHEMBL6317618 0.84 NPC1 (0.61) ALDH1A1POLBNPC1RAB9ATSHR
SCHEMBL6323643 0.83 NPC1 (0.56) ALDH1A1POLBNPC1RAB9ATSHR
SCHEMBL6315521 0.83 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2POLB
SCHEMBL6318527 0.82 CA1 (0.52) TAS1R3TAS1R1TAS1R2POLB
SCHEMBL6314838 0.79 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2ALDH1A1POLB
SCHEMBL6319161 0.79 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2ALDH1A1POLB
SCHEMBL6316989 0.79 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2POLB
SCHEMBL6318132 0.78 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2ALDH1A1POLB
SCHEMBL6316337 0.78 TDP1 (0.46) ALDH1A1POLBNPC1RAB9AMEN1

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 TAS1R3 4289/4885TAS1R1 4258/4885TAS1R2 4472/4885

“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.