SCHEMBL7025642

SCHEMBL7025642

COc1ccc(C(C)(N)C(O)C(=O)NCCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
GAA P10253 1/20 0.55
TAAR1 Q96RJ0 1/20 0.55
PLAAT3 P53816 3/20 0.52
PLAAT5 Q96KN8 3/20 0.52
PLAAT2 Q9NWW9 3/20 0.52
PLAAT4 Q9UL19 3/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 2/20 0.50
FPR2 P25090 1/20 0.50
PTPN1 P18031 1/20 0.49
MAPT P10636 1/20 0.48
MEN1 O00255 1/20 0.48
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ESRRG P62508 1/20 0.47
VNN1 O95497 1/20 0.47

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
SCHEMBL7026740 0.80 NPC1 (0.51) NPC1RAB9AGAATAAR1PLAAT3
SCHEMBL13073347 0.76 KMT2A (0.63) NPC1RAB9AGAATAAR1PLAAT3
SCHEMBL16730127 0.76 NPC1 (0.67) NPC1RAB9AGAATAAR1PLAAT3
SCHEMBL10692723 0.75 GAA (0.62) NPC1RAB9AGAATAAR1PLAAT3
SCHEMBL7705937 0.74 ALDH1A1 (0.76) NPC1RAB9AGAATAAR1PLAAT3
Hydrochloric Acid SCHEMBL7032559 0.74 KIF11 (0.46) ALDH1A1MAPT
SCHEMBL29673846 0.73 SMN1; SMN2 (0.67) NPC1RAB9AGAATAAR1PLAAT3
SCHEMBL29673862 0.73 SMN1; SMN2 (0.67) NPC1RAB9AGAATAAR1PLAAT3
SCHEMBL7798884 0.73 ALDH1A1 (0.58) NPC1RAB9AGAATAAR1PLAAT3
SCHEMBL18603451 0.72 KMT2A (0.69) NPC1RAB9AGAATAAR1PLAAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002048097-A9 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF PARASITIC INFECTIONS CORVAS INT INC (US) 2003-05-08 WO disclosed
US-20020107266-A1 Compounds, compositions and methods for treatment of parasitic infections DENDREON CORPORATION 2002-08-08 US disclosed
WO-2002048097-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF PARASITIC INFECTIONS CORVAS INTERNATIONAL, INC. (US) 2002-06-20 WO 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-20020107266-A1 Compounds, compositions and methods for treatment of parasitic infections CAT, CTSA, CTRL NPC1 1432/4885RAB9A 1809/4885GAA 72/4885

“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.