SCHEMBL12437146

SCHEMBL12437146

CCc1nc2c([nH]1)-c1ccc(C(C)C)cc1CCCC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.31
GFER P55789 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 1/20 0.30
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
KMT2A Q03164 1/20 0.30
KARS1 Q15046 1/20 0.30
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 1/20 0.30
PDK4 Q16654 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 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
SCHEMBL19521604 0.97 NPSR1 (0.34) PSMB5NPSR1L3MBTL1KDM4EHPGD
SCHEMBL13561554 0.92 NPSR1 (0.33) PSMB5NPSR1L3MBTL1KDM4EHPGD
SCHEMBL10118796 0.83 PSMB5 (0.36) PSMB5NPSR1KDM4EHPGDGFER
SCHEMBL10147705 0.83 PARP10 (0.39) NPSR1L3MBTL1KDM4EKMT2A
SCHEMBL18948590 0.81 PARP10 (0.39) NPSR1L3MBTL1KDM4EKMT2A
SCHEMBL10118798 0.81 KDM4E (0.36) PSMB5NPSR1KDM4EHPGDGFER
SCHEMBL10119933 0.80 PSMB5 (0.34) PSMB5NPSR1KDM4ELMNA
SCHEMBL10141067 0.78 PIK3CA (0.35)
SCHEMBL10119925 0.78 KDM4E (0.36) PSMB5NPSR1KDM4ELMNA
SCHEMBL15443727 0.76 HSD17B1 (0.34) NPSR1L3MBTL1KDM4EHSD17B10LMNA

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-20110189129-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-08-04 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-20110189129-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, NSUN2 PSMB5 1917/4885NPSR1 2783/4885L3MBTL1 195/4885

“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.