SCHEMBL805035

SCHEMBL805035

Cc1nc2ccccc2nc1OC(C)C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
TSHR P16473 2/20 0.51
KDM4E B2RXH2 5/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 5/20 0.43
ATM Q13315 3/20 0.43
HPGD P15428 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
TLR8 Q9NR97 1/20 0.42
LMNA P02545 1/20 0.41
GPR3 P46089 1/20 0.41
GAA P10253 1/20 0.39
NQO2 P16083 1/20 0.39
PDE10A Q9Y233 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL805013 0.79 KDM4E (0.42) L3MBTL1TSHRKDM4EKMT2AMAPT
SCHEMBL17848973 0.78 TDP1 (0.52) L3MBTL1TSHRKDM4EMEN1KMT2A
SCHEMBL789181 0.78 KDM4E (0.51) L3MBTL1TSHRKDM4EMEN1KMT2A
SCHEMBL805040 0.78 KDM4E (0.53) L3MBTL1KDM4EMEN1KMT2AMAPT
SCHEMBL805001 0.78 KDM4E (0.53) L3MBTL1KDM4EMEN1KMT2AMAPT
SCHEMBL804981 0.77 TSHR (0.61) L3MBTL1TSHRKDM4EMEN1KMT2A
SCHEMBL804765 0.77 MAPT (0.43) L3MBTL1TSHRKDM4EMEN1KMT2A
SCHEMBL10111723 0.77 MAPT (0.43) L3MBTL1TSHRKDM4EMEN1KMT2A
SCHEMBL13956255 0.76 L3MBTL1 (0.50) L3MBTL1TSHRKDM4EMEN1KMT2A
SCHEMBL805106 0.76 KDM4E (0.46) TSHRKDM4EHPGDPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180162905-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2018-06-14 US disclosed
US-20120070416-A1 Macrocyclic Proline Derived HCV Serine Protease Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-22 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 (2 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-20120070416-A1 Macrocyclic Proline Derived HCV Serine Protease Inhibitors PREP, PRSS1, PEPD L3MBTL1 3087/4885TSHR 4670/4885KDM4E 1290/4885
US-20180162905-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD L3MBTL1 3087/4885TSHR 4670/4885KDM4E 1290/4885

“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.