SCHEMBL20045098

SCHEMBL20045098

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.71
GAA P10253 2/20 0.71
GFER P55789 1/20 0.71
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
HSP90AB1 P08238 1/20 0.49
SLC7A5 Q01650 1/20 0.47
MAPT P10636 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
HPGD P15428 3/20 0.46
TSHR P16473 2/20 0.46
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PDK2 Q15119 1/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL30026686 0.86 ALDH1A1 (0.66) ALDH1A1GAAGFERNPC1RAB9A
SCHEMBL3213276 0.86 ALDH1A1 (0.66) ALDH1A1GAAGFERNPC1RAB9A
SCHEMBL7237331 0.86 ALDH1A1 (0.75) ALDH1A1GAAGFERNPC1RAB9A
SCHEMBL30565426 0.86 ALDH1A1 (0.75) ALDH1A1GAAGFERNPC1RAB9A
SCHEMBL1786183 0.84 NPC1 (0.63) ALDH1A1GAAGFERNPC1RAB9A
SCHEMBL8147823 0.83 ALDH1A1 (0.71) ALDH1A1GAAGFERNPC1RAB9A
SCHEMBL287469 0.83 GAA (1.00) ALDH1A1GAAGFERNPC1RAB9A
SCHEMBL3784804 0.81 ALDH1A1 (0.69) ALDH1A1GAAGFERNPC1RAB9A
SCHEMBL5734658 0.81 ALDH1A1 (0.69) ALDH1A1GAAGFERNPC1RAB9A
Hydrochloric Acid SCHEMBL11216073 0.81 GAA (0.97) ALDH1A1GAAGFERNPC1RAB9A

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 ALDH1A1 163/4885GAA 134/4885GFER 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.