SCHEMBL803874

SCHEMBL803874

O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCN(CCN1CCCCCCC1)c1ccccc1-3

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.49
MMP12 P39900 1/20 0.49
SCN9A Q15858 3/20 0.42
NR1I2 O75469 1/20 0.39
POLB P06746 2/20 0.35
TSHR P16473 1/20 0.35
CCKBR P32239 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HIF1A Q16665 1/20 0.34
ALDH1A1 P00352 4/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 2/20 0.34
TP53 P04637 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
HTR1A P08908 1/20 0.34
SLC6A4 P31645 1/20 0.34
HRH1 P35367 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL12427636 1.00 PRKCA (0.49) PRKCAMMP12SCN9ANR1I2POLB
SCHEMBL12427734 1.00 PRKCA (0.49) PRKCAMMP12SCN9ANR1I2POLB
SCHEMBL803839 1.00 PRKCA (0.49) PRKCAMMP12SCN9ANR1I2POLB
SCHEMBL803965 1.00 PRKCA (0.49) PRKCAMMP12SCN9ANR1I2POLB
SCHEMBL804124 1.00 PRKCA (0.49) PRKCAMMP12SCN9ANR1I2POLB
SCHEMBL10283730 0.95 PRKCA (0.47) PRKCAMMP12SCN9ANR1I2POLB
SCHEMBL12427821 0.95 PRKCA (0.47) PRKCAMMP12SCN9ANR1I2POLB
SCHEMBL12427569 0.94 PRKCA (0.49) PRKCAMMP12SCN9ANR1I2ALDH1A1
SCHEMBL12427597 0.94 PRKCA (0.49) PRKCAMMP12SCN9ANR1I2POLB
SCHEMBL10283728 0.94 PRKCA (0.47) PRKCAMMP12SCN9ANR1I2CCKBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP 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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PRKCA 2404/4885MMP12 1013/4885SCN9A 3087/4885

“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.