SCHEMBL13155129

SCHEMBL13155129

Cc1ncc(-n2cc(C(C)C)c3ccccc32)o1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.37
ATP4B P51164 2/20 0.37
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RORC P51449 1/20 0.32
KCNH2 Q12809 1/20 0.32
PTGER1 P34995 1/20 0.30
SCN9A Q15858 2/20 0.30
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
IDO1 P14902 1/20 0.30
GPR3 P46089 1/20 0.30

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
SCHEMBL10121079 0.86 ATP4A (0.35) ATP4AATP4BMEN1LMNAMAPT
SCHEMBL10150896 0.82 SLC6A2 (0.37) ATP4AATP4BMEN1MAPTKMT2A
SCHEMBL22361568 0.71 SCN9A (0.31) SCN9A
SCHEMBL13430732 0.71 KCNH2 (0.48) ATP4AATP4BMEN1LMNAMAPT
SCHEMBL22361464 0.70
SCHEMBL18976935 0.70 ATP4A (0.50) ATP4AATP4B
SCHEMBL22361454 0.69 PTGER1 (0.35) LMNAMAPTHTTTDP1PTGER1
SCHEMBL19364675 0.69 TLR7 (0.31) MEN1KMT2A
SCHEMBL31087256 0.69 CDC7 (0.42) MAPTKMT2A
SCHEMBL13430733 0.68 KCNH2 (0.46) ATP4AATP4BRORCKCNH2IDO1

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-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 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-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 ATP4A 661/4885ATP4B 1861/4885MEN1 4782/4885

“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.