SCHEMBL5774677

SCHEMBL5774677

CCOC(=O)c1cnoc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.53
RAB9A P51151 4/20 0.51
GAA P10253 1/20 0.51
AR P10275 5/20 0.50
PRKCZ Q05513 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL9392559 0.87 MAPT (0.43) MAPTRAB9AGAAARSMN1; SMN2
SCHEMBL5773388 0.84 TARBP2 (0.48) MAPTRAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL343836 0.82 HTT (0.50) MAPTRAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL5771735 0.82 ALDH1A1 (0.50) MAPTRAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL10668171 0.82 SMN1; SMN2 (0.52) MAPTRAB9APRKCZSMN1; SMN2ALDH1A1
SCHEMBL11384351 0.82 ALDH1A1 (0.48) MAPTRAB9AGAAPRKCZSMN1; SMN2
SCHEMBL6502372 0.81 TSHR (0.53) MAPTRAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL5776864 0.81 GAA (0.51) MAPTRAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL3552361 0.80 HPGD (0.43) MAPTRAB9AARSMN1; SMN2ALDH1A1
SCHEMBL3549592 0.80 TDP1 (0.46) MAPTRAB9AGAASMN1; SMN2ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP disclosed
US-4243406-A REDUCING INJURIES TO CROP PLANTS WHEN USING AN ALPHA-HALOACETANILIDE AS A HERBICIDE MONSANTO COMPANY (US) 1981-01-06 US 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-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR MAPT 4701/4885RAB9A 3076/4885GAA 2207/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MAPT 4763/4885RAB9A 3507/4885GAA 1930/4885

“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.