SCHEMBL5375870

SCHEMBL5375870

CC(C)(C)c1ccc(-c2cc(C(N)=O)no2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACR P10323 2/20 0.58
ALDH1A1 P00352 3/20 0.47
RAPGEF3 O95398 3/20 0.47
IKBKB O14920 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 1/20 0.47
RECQL P46063 1/20 0.47
PTPN1 P18031 1/20 0.46
TP53 P04637 2/20 0.46
RAB9A P51151 2/20 0.46
KLF5 Q13887 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NQO2 P16083 1/20 0.46
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
NPC1 O15118 1/20 0.44
KIF11 P52732 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
SCHEMBL4093700 0.86 ALDH1A1 (0.66) ACRALDH1A1RAPGEF3LMNAMAPT
SCHEMBL2791692 0.79 RAB9A (0.60) ACRALDH1A1LMNAMAPTTP53
SCHEMBL11275129 0.79 CDH1 (0.61) ACRALDH1A1MAPTTP53RAB9A
SCHEMBL1686535 0.79 ACR (0.56) ACRALDH1A1LMNAMAPTHPGD
SCHEMBL14160552 0.78 TP53 (0.58) ACRLMNAHPGDTP53RAB9A
SCHEMBL2678323 0.78 ALDH1A1 (0.73) ALDH1A1MAPTHPGDPTPN1RAB9A
SCHEMBL5375872 0.77 NPC1 (0.47) ACRALDH1A1RAPGEF3IKBKBLMNA
SCHEMBL5312654 0.76 NPC1 (0.57) ACRALDH1A1RAPGEF3HPGDTP53
SCHEMBL14160551 0.76 TRPV1 (0.70) ALDH1A1HPGDTP53RAB9ASMN1; SMN2
SCHEMBL5312129 0.76 NPC1 (0.57) ACRALDH1A1RAPGEF3HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241786-B2 Isoxazole and isothiazole compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2007-07-10 US claimed
EP-1636220-A1 ISOXAZOLE AND ISOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-03-22 EP claimed
WO-2004099200-A1 ISOXAZOLE AND ISOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-11-18 WO claimed
US-7241786-B2 Isoxazole and isothiazole compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2007-07-10 US disclosed
EP-1636220-A1 ISOXAZOLE AND ISOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-03-22 EP disclosed
US-20040242666-A1 Isoxazole and isothiazole compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2004-12-02 US disclosed
WO-2004099200-A1 ISOXAZOLE AND ISOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-11-18 WO disclosed
US-4336264-A 1-Benzoyl-3-(isoxazolyl or benzisoxazolyl)-ureas and insecticidal use thereof ELI LILLY AND COMPANY (US) 1982-06-22 US disclosed
EP-0042732-A1 1-benzoyl-3-substituted ureas and thioureas, their preparation, insecticidal formulations containing them and their use as insecticides ELI LILLY AND COMPANY (US) 1981-12-30 EP 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-20040242666-A1 Isoxazole and isothiazole compounds for the treatment of neurodegenerative disorders NPY1R, PARK7, IAPP ACR 4491/4885ALDH1A1 1694/4885RAPGEF3 2699/4885

“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.