SCHEMBL3084506

SCHEMBL3084506

COc1ccc2c(c1)CNC(=O)Cn1c-2cc2ccc(C(=O)O)cc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
RPS6KA2 Q15349 4/20 0.42
TAS2R14 Q9NYV8 1/20 0.38
THRB P10828 1/20 0.36
AKR1C3 P42330 2/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
RPS6KA3 P51812 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL3073902 0.83 RPS6KA2 (0.41) RPS6KA2AKR1C3POLBRPS6KA3ALDH1A1
SCHEMBL4144549 0.79 RPS6KA2 (0.42) KDM4ERPS6KA2AKR1C3POLBMAPT
SCHEMBL3089903 0.73 RPS6KA2 (0.44) RPS6KA2RPS6KA3
SCHEMBL3087341 0.73 CSNK2A2 (0.39) KDM4ERPS6KA2TP53MAPTRPS6KA3
SCHEMBL3093321 0.71 RPS6KA2 (0.38) RPS6KA2RPS6KA3
SCHEMBL3095189 0.69 GPR84 (0.40) RPS6KA2POLBGPR84RPS6KA3L3MBTL1
SCHEMBL4161511 0.69 RPS6KA2 (0.42) KDM4ERPS6KA2POLBMAPTTDP1
SCHEMBL3079143 0.68 GPR84 (0.42) RPS6KA2GPR84RPS6KA3
SCHEMBL4827969 0.67 RPS6KA3 (0.39) RPS6KA2RPS6KA3
SCHEMBL3087467 0.67 RPS6KA3 (0.39) RPS6KA2RPS6KA3HTR2AHTR2C

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 KDM4E 2200/4885RPS6KA2 2765/4885TAS2R14 2864/4885

“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.