SCHEMBL16697481

SCHEMBL16697481

COCc1onc(-c2ccccc2Cl)c1C(=O)Cl

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.52
GPBAR1 Q8TDU6 5/20 0.50
ALDH1A1 P00352 3/20 0.49
CYP2C19 P33261 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
LMNA P02545 2/20 0.48
SCN9A Q15858 1/20 0.48
MAPT P10636 4/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.48
NPC1 O15118 1/20 0.47
TSHR P16473 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
SCHEMBL2471766 0.83 PTGS1 (0.51) GPBAR1ALDH1A1CYP2C19CYP1A2CYP2D6
SCHEMBL16697750 0.79 GPBAR1 (0.67) HSD17B10GPBAR1ALDH1A1CYP2C19LMNA
SCHEMBL315858 0.78 HSD17B10 (0.76) HSD17B10GPBAR1ALDH1A1CYP2C19LMNA
SCHEMBL32679558 0.78 HSD17B10 (0.76) HSD17B10GPBAR1ALDH1A1CYP2C19LMNA
SCHEMBL2475005 0.75 LMNA (0.52) GPBAR1ALDH1A1LMNAMAPTKDM4E
SCHEMBL16698337 0.74 MEN1 (0.50) HSD17B10GPBAR1ALDH1A1CYP2C19CYP1A2
SCHEMBL16698339 0.74 ADORA3 (0.55) HSD17B10ALDH1A1LMNAMAPTHPGD
SCHEMBL16698335 0.74 ADORA3 (0.55) HSD17B10ALDH1A1LMNAMAPTHPGD
SCHEMBL4010252 0.74 POLB (0.68) ALDH1A1LMNASCN9AMAPTHPGD
SCHEMBL4947186 0.74 GPBAR1 (0.43) GPBAR1CYP2C19CYP2C9SCN9ANPC1

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 HSD17B10 1479/4885GPBAR1 191/4885ALDH1A1 1619/4885

“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.