SCHEMBL805013

SCHEMBL805013

Cc1nc2cc(F)ccc2nc1OC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 1/20 0.41
TSHR P16473 2/20 0.38
CASP3 P42574 1/20 0.37
POLB P06746 1/20 0.36
NAMPT P43490 7/20 0.35
PDE10A Q9Y233 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MPO P05164 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK10 P53779 1/20 0.33

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
SCHEMBL789356 0.83 KDM4E (0.41) KDM4EKMT2ANAMPTNPC1TP53
SCHEMBL789176 0.83 KDM4E (0.41) KDM4EKMT2ANAMPTNPC1TP53
SCHEMBL804778 0.81 KDM4E (0.46) KDM4EKMT2ATSHRCASP3POLB
SCHEMBL15870617 0.81 KDM4E (0.46) KDM4EKMT2ATSHRCASP3POLB
SCHEMBL804996 0.80 KDM4E (0.46) KDM4ETSHRPDE10A
SCHEMBL805106 0.80 KDM4E (0.46) KDM4ETSHRPDE10A
SCHEMBL20248268 0.80 KDM4E (0.39) KDM4EKMT2ANAMPTPDE10ANPC1
SCHEMBL805001 0.79 KDM4E (0.53) KDM4EKMT2APOLBPDE10AL3MBTL1
SCHEMBL805040 0.79 KDM4E (0.53) KDM4EKMT2APOLBPDE10AL3MBTL1
SCHEMBL805035 0.79 L3MBTL1 (0.51) KDM4EKMT2ATSHRPDE10AL3MBTL1

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-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 (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-20120070416-A1 Macrocyclic Proline Derived HCV Serine Protease Inhibitors PREP, PRSS1, PEPD KDM4E 1290/4885KMT2A 3360/4885TSHR 4670/4885

“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.