SCHEMBL3098417

SCHEMBL3098417

COC(=O)Cn1c(Br)c(C2CCCCC2)c2ccc(C(=O)OC(C)(C)C)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
SCN9A Q15858 8/20 0.35
HSD17B10 Q99714 2/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RHEB Q15382 1/20 0.33
ALOX15 P16050 2/20 0.32
SCN5A Q14524 1/20 0.32
CNR2 P34972 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
SCHEMBL391724 0.92 ALDH1A1 (0.41) ALDH1A1NPSR1KDM4ELMNACYP3A4
SCHEMBL10293471 0.91 ALDH1A1 (0.44) ALDH1A1NPSR1KDM4ELMNACYP3A4
SCHEMBL3094367 0.90 RHEB (0.37) ALDH1A1NPSR1KDM4ELMNACYP3A4
SCHEMBL5300454 0.87 PRKCA (0.40) ALDH1A1NPSR1KDM4ELMNACYP3A4
SCHEMBL13096065 0.84 CYP3A4 (0.39) CYP3A4CYP2C19SCN9A
SCHEMBL1981364 0.84 SCN9A (0.41) CYP3A4CYP2C9CYP2C19HDAC1HDAC8
SCHEMBL4821597 0.83 ALDH1A1 (0.43) ALDH1A1NPSR1KDM4ELMNACYP3A4
SCHEMBL1173428 0.83 ALDH1A1 (0.44) ALDH1A1NPSR1KDM4ELMNACYP3A4
SCHEMBL771509 0.83 ALDH1A1 (0.44) ALDH1A1NPSR1KDM4ELMNACYP3A4
SCHEMBL1981685 0.82 ALDH1A1 (0.36) ALDH1A1NPSR1HDAC1HDAC8HDAC6

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-7795247-B2 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-09-14 US disclosed
EP-1807403-A2 TETRACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2007-07-18 EP 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
WO-2006046030-A2 TETRACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-05-04 WO 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 ALDH1A1 634/4885NPSR1 244/4885KDM4E 2200/4885

“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.