SCHEMBL804583

SCHEMBL804583

O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCOc1c(-c2ccccc2CCCN2CCCCC2)cccc1-3

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.47
MMP12 P39900 1/20 0.47
SCN9A Q15858 1/20 0.37
NR1I2 O75469 1/20 0.36
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
CCR3 P51677 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32

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
Hydrochloric Acid SCHEMBL773568 0.99 PRKCA (0.46) PRKCAMMP12SCN9ANR1I2KDM4E
SCHEMBL10283222 0.95 PRKCA (0.48) PRKCAMMP12SCN9ANR1I2
Hydrochloric Acid SCHEMBL772936 0.95 PRKCA (0.47) PRKCAMMP12SCN9ANR1I2ALDH1A1
SCHEMBL12429465 0.90 PRKCA (0.48) PRKCAMMP12SCN9ANR1I2
SCHEMBL771845 0.90 PRKCA (0.51) PRKCAMMP12SCN9ANR1I2
Hydrochloric Acid SCHEMBL773156 0.89 PRKCA (0.47) PRKCAMMP12SCN9ANR1I2ALDH1A1
SCHEMBL773796 0.88 PRKCA (0.47) PRKCAMMP12SCN9ANR1I2KDM4E
SCHEMBL12429758 0.85 PRKCA (0.46) PRKCAMMP12SCN9ANR1I2HRH3
SCHEMBL12429459 0.85 PRKCA (0.45) PRKCAMMP12SCN9AKDM4EALDH1A1
SCHEMBL771869 0.85 PRKCA (0.56) PRKCAMMP12SCN9ANR1I2ALDH1A1

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 3 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

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.