SCHEMBL8246746

SCHEMBL8246746

COCCNC(=O)c1ccc(CC(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.59
ALDH1A1 P00352 2/20 0.58
KMT2A Q03164 3/20 0.54
TRPV1 Q8NER1 1/20 0.52
ACACB O00763 1/20 0.51
NAMPT P43490 1/20 0.49
PPARD Q03181 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TP53 P04637 1/20 0.48
MEN1 O00255 1/20 0.48

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
SCHEMBL14393677 0.87 HPGD (0.55) HPGDALDH1A1KMT2AACACBNAMPT
SCHEMBL13328247 0.84 SMN1; SMN2 (0.65) HPGDTRPV1NAMPTPPARDNPC1
SCHEMBL25016755 0.83 CYP1A2 (0.58) KMT2ATRPV1ACACBPPARDNPC1
SCHEMBL2056358 0.82 HPGD (0.64) HPGDALDH1A1KMT2ANAMPTNPC1
SCHEMBL7445362 0.82 HPGD (0.64) HPGDALDH1A1KMT2ANAMPTLOXL2
SCHEMBL12001250 0.81 ACACB (0.66) ACACB
SCHEMBL19634404 0.81 LOXL2 (0.64) HPGDALDH1A1KMT2ANAMPTLOXL2
SCHEMBL9229365 0.81 ALDH1A1 (0.67) HPGDALDH1A1KMT2ANAMPTLOXL2
SCHEMBL19465880 0.81 HPGD (0.62) HPGDALDH1A1KMT2ANAMPTLOXL2
SCHEMBL12089923 0.81 HPGD (0.62) HPGDALDH1A1KMT2ANPC1RAB9A

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-9790245-B2 Water soluble catalysts for NMR/MRI enhancement VANDERBILT UNIVERSITY (US) 2017-10-17 US disclosed
US-9790245-B2 Water soluble catalysts for NMR/MRI enhancement VANDERBILT UNIVERSITY (US) 2017-10-17 US disclosed
US-7786122-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-31 US disclosed
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-04-10 US disclosed
US-7300936-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-27 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 (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-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS APP, APBA1, BACE1 HPGD 3387/4885ALDH1A1 1197/4885KMT2A 3511/4885

“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.