SCHEMBL804147

SCHEMBL804147

CCOOCc1ccc2c(C3CCCCC3)c3n(c2n1)CCN(CC(=O)N1CCOCC1)c1ccccc1-3

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 7/20 0.37
ALDH1A1 P00352 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
HIF1A Q16665 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
NR1I2 O75469 1/20 0.34
HRH1 P35367 1/20 0.33
PKM P14618 1/20 0.33
SCN9A Q15858 1/20 0.32
SCN10A Q9Y5Y9 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
SCHEMBL792422 0.91 TMEM97 (0.41) TMEM97ALDH1A1SIGMAR1HIF1AKDM4E
SCHEMBL771631 0.87 TMEM97 (0.39) TMEM97ALDH1A1SIGMAR1HIF1AKDM4E
SCHEMBL10283179 0.84 ALDH1A1 (0.39) TMEM97ALDH1A1SIGMAR1HIF1AKDM4E
SCHEMBL792812 0.83 ALDH1A1 (0.36) TMEM97ALDH1A1SIGMAR1HIF1AKDM4E
Hydrochloric Acid SCHEMBL772339 0.83 ALDH1A1 (0.39) TMEM97ALDH1A1SIGMAR1HIF1AKDM4E
SCHEMBL10283262 0.75 PRKCA (0.48) ALDH1A1HIF1AKDM4EMAPTMEN1
SCHEMBL13285904 0.75 KMT2A (0.33) TMEM97ALDH1A1SIGMAR1KDM4EMAPT
SCHEMBL804126 0.74 MAOA (0.31)
SCHEMBL804469 0.74
SCHEMBL803809 0.73 PRKCA (0.46) TMEM97ALDH1A1HIF1AKDM4EMAPT

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-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

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 TMEM97 3248/4885ALDH1A1 750/4885SIGMAR1 3155/4885

“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.