SCHEMBL3085393

SCHEMBL3085393

NC(=O)c1ccc2cc3n(c2c1)CC(=O)N(CCN1CCCCC1)Cc1ccccc1-3

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.45
RPS6KA3 P51812 2/20 0.43
HRH3 Q9Y5N1 1/20 0.42
PARP2 Q9UGN5 3/20 0.39
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SIGMAR1 Q99720 3/20 0.37
RPS6KA2 Q15349 2/20 0.36
BCHE P06276 2/20 0.35
HTR2C P28335 1/20 0.35
BCAT2 O15382 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TP53 P04637 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
SCHEMBL50820 0.81 RPS6KA3 (0.49) RPS6KA3KDM4ERPS6KA2BCAT2ALDH1A1
SCHEMBL3092115 0.74 RPS6KA3 (0.42) RPS6KA3SIGMAR1RPS6KA2ALDH1A1
SCHEMBL878127 0.71 PRKCA (0.46) PARP1HRH3KDM4EL3MBTL1SIGMAR1
SCHEMBL3088133 0.70 RPS6KA3 (0.54) RPS6KA3RPS6KA2HTR2CBCAT2
SCHEMBL3938873 0.67 RPS6KA3 (0.45) RPS6KA3KDM4EL3MBTL1RPS6KA2BCAT2
SCHEMBL895847 0.66 PRKCA (0.46) PARP1PARP2
SCHEMBL3941964 0.66 RPS6KA3 (0.43) RPS6KA3RPS6KA2
SCHEMBL3574670 0.65 SRD5A2 (0.50) RPS6KA3RPS6KA2ALDH1A1
SCHEMBL4831402 0.65 RPS6KA3 (0.59) RPS6KA3RPS6KA2
SCHEMBL3087058 0.65 RPS6KA2 (0.41) RPS6KA3SIGMAR1RPS6KA2ALDH1A1

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-7795247-B2 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-09-14 US disclosed
US-20060100262-A1 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICHERCHEDI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IRMB) (IT) 2006-05-11 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-20060100262-A1 Tetracyclic indole derivatives as antiviral agents IDO1, ZC3HAV1, IDO2 PARP1 807/4885RPS6KA3 1950/4885HRH3 1111/4885

“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.