SCHEMBL16697358

SCHEMBL16697358

N=C(NOC(=O)c1ccccc1Cc1ccccc1)c1ccc2c(c1)OCO2

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.49
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 6/20 0.48
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
PKM P14618 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CTNNB1 P35222 3/20 0.46
WNT3A P56704 3/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 2/20 0.45
ALOX12 P18054 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
TAAR1 Q96RJ0 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL16698353 0.82 RAB9A (0.69) RAB9AALDH1A1NPC1PKMKDM4E
SCHEMBL16697359 0.80 RAB9A (0.57) RAB9AALDH1A1NPC1PKMCTNNB1
SCHEMBL16697356 0.80 RAB9A (0.57) RAB9AALDH1A1NPC1PKMCTNNB1
SCHEMBL16698330 0.79 CTNNB1 (0.60) RAB9AALDH1A1NPC1PKMKDM4E
SCHEMBL16697463 0.74 MAPT (0.48) RAB9AALDH1A1NPC1PKMKDM4E
SCHEMBL16697641 0.73 CTNNB1 (0.50) RAB9AALDH1A1NPC1PKMCTNNB1
SCHEMBL16697151 0.72 RAB9A (0.47) RAB9AALDH1A1NPC1TAS1R3TAS1R1
SCHEMBL16697795 0.72 RAB9A (0.47) RAB9AALDH1A1NPC1PKMKDM4E
SCHEMBL16701197 0.71 NPC1 (0.49) RAB9AALDH1A1NPC1PKMKDM4E
SCHEMBL16698156 0.71 ALDH1A1 (0.51) RAB9AALDH1A1NPC1PKMKDM4E

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-20150133495-A1 Substituted Acyloxyamidines as HCV NS3/4A Inhibitors VIROCURA THERAPEUTICS INC (CA) 2015-05-14 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-20150133495-A1 Substituted Acyloxyamidines as HCV NS3/4A Inhibitors EIF2AK2, GTF3C4, GTF3C1 RAB9A 465/4885ALDH1A1 1619/4885NPC1 922/4885

“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.