SCHEMBL10099089

SCHEMBL10099089

COc1cc(Cl)cc2c(C)nc(C(C)C)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.36
KDM4E B2RXH2 2/20 0.36
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
GAA P10253 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
SLC10A2 Q12908 1/20 0.32
PDE10A Q9Y233 1/20 0.32
RAC1 P63000 2/20 0.31
CXCL12 P48061 1/20 0.31
ERN1 O75460 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL10098970 0.84 PDE3B (0.33) CRHR1KDM4EPDE3BPDE3AGAA
SCHEMBL10099062 0.77 MAPT (0.34) CRHR1KDM4EPDE3BPDE3AGAA
SCHEMBL10098969 0.74 P2RX3 (0.36) PDE3BPDE3AGAAPDE4APDE4D
SCHEMBL10099063 0.71 CYP19A1 (0.40) KDM4EPDE3BPDE3ASLC10A2RAC1
SCHEMBL10099094 0.70 CXCL12 (0.40) CRHR1KDM4EGAAHSP90AA1HSP90AB1
SCHEMBL23564604 0.70 ELANE (0.45) CRHR1KDM4EPDE3BPDE3AGAA
SCHEMBL13913535 0.69 ERN1 (0.41) KDM4EPDE3BPDE3AGAAHSP90AA1
SCHEMBL172434 0.69 KDM4E (0.47) KDM4ESLC10A2ALDH1A1SMN1; SMN2
SCHEMBL19869248 0.67 MAP3K14 (0.41) CRHR1PDE3BPDE3AGAACXCL12
SCHEMBL17915875 0.67 NOS3 (0.43) KDM4ENOS3NOS1NOS2ALDH1A1

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-20120094897-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 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-20120094897-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HDGF CRHR1 2889/4885KDM4E 683/4885PDE3B 1284/4885

“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.