SCHEMBL805040

SCHEMBL805040

COc1ccc2nc(OC(C)C)c(C)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.53
ALDH1A1 P00352 7/20 0.53
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
POLB P06746 4/20 0.53
RAB9A P51151 3/20 0.53
NQO2 P16083 2/20 0.53
NPC1 O15118 1/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.44
MAPT P10636 5/20 0.43
THRB P10828 2/20 0.43
BLM P54132 2/20 0.43
CASP6 P55212 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 2/20 0.42
HPGD P15428 2/20 0.42
ALOX12 P18054 1/20 0.42
PTPN7 P35236 1/20 0.42

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
SCHEMBL805001 1.00 KDM4E (0.53) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL804719 0.85 KDM4E (0.61) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL15870612 0.85 KDM4E (0.61) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL17848984 0.83 ALDH1A1 (0.51) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL789146 0.83 ALDH1A1 (0.51) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL789184 0.83 ALDH1A1 (0.51) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL10111820 0.82 SCN10A (0.40) SMN1; SMN2RAB9ANPC1LMNATP53
SCHEMBL804850 0.82 SCN10A (0.40) SMN1; SMN2RAB9ANPC1LMNATP53
SCHEMBL10435667 0.81 KDM4E (0.70) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL20248255 0.81 MEN1 (0.49) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2

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-20200270303-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2020-08-27 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 KDM4E 1290/4885ALDH1A1 1434/4885KMT2A 3360/4885
US-20200270303-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD KDM4E 1290/4885ALDH1A1 1434/4885KMT2A 3360/4885

“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.