SCHEMBL20045089

SCHEMBL20045089

COC(=O)Cc1ccc(C)c(C#N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GFER P55789 1/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
HSP90AB1 P08238 1/20 0.45
MAPT P10636 4/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 1/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
CACNA1H O95180 5/20 0.42
SLC7A5 Q01650 1/20 0.40

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
SCHEMBL30154456 0.88 GAA (0.49) GAAALDH1A1GFERNPC1RAB9A
SCHEMBL20943369 0.88 GAA (0.49) GAAALDH1A1GFERNPC1RAB9A
SCHEMBL20346348 0.86 NLRP3 (0.43) GAAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14421473 0.85 RAB9A (0.47) GAAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL13665106 0.84 GAA (0.60) GAAALDH1A1GFERNPC1RAB9A
SCHEMBL23832277 0.83 GAA (0.48) GAAALDH1A1GFERNPC1RAB9A
SCHEMBL5739424 0.83 ALDH1A1 (0.55) GAAALDH1A1GFERNPC1RAB9A
SCHEMBL30154441 0.83 GAA (0.48) GAAALDH1A1GFERNPC1RAB9A
SCHEMBL13610493 0.83 GAA (0.59) GAAALDH1A1GFERNPC1RAB9A
SCHEMBL3104099 0.83 GAA (0.48) GAAALDH1A1GFERNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180098952-A1 INACTIVATORS OF TOXOPLASMA GONDII ORNITHINE AMINOTRANSFERASE FOR TREATING TOXOPLASMOSIS AND MALARIA NORTHWESTERN UNIVERSITY (US) 2018-04-12 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-20180098952-A1 INACTIVATORS OF TOXOPLASMA GONDII ORNITHINE AMINOTRANSFERASE FOR TREATING TOXOPLASMOSIS AND MALARIA OAT, OTC, ABAT GAA 134/4885ALDH1A1 163/4885GFER 767/4885

“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.