SCHEMBL3596747

SCHEMBL3596747

COc1ccc(Br)c(CO)c1.COc1ccc(Br)c(CO[Si](C(C)C)(C(C)C)C(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HDAC1 Q13547 1/20 0.36
ABCB11 O95342 1/20 0.35
HTR2A P28223 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
IDO1 P14902 2/20 0.34
HTR1A P08908 1/20 0.34
SLC6A4 P31645 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
SCHEMBL2280889 0.93 HPGD (0.41) HPGDHDAC1HTR2AIDO1HTR1A
SCHEMBL594784 0.82 KDM4E (0.46) HPGDKDM4EALDH1A1HDAC1CYP11B1
SCHEMBL7392254 0.79 KDM4E (0.44) HPGDKDM4EALDH1A1HDAC1HTR2A
Lithium Ion SCHEMBL7392252 0.78 KDM4E (0.43) HPGDKDM4EALDH1A1HDAC1HTR2A
SCHEMBL2279322 0.76 HTR2A (0.38) ABCB11HTR2AIDO1
SCHEMBL6818762 0.74 NOS3 (0.40) HPGDALDH1A1HTR2AIDO1SLC6A4
SCHEMBL457099 0.74 DPP4 (0.32) HTR2AIDO1SLC6A4
SCHEMBL14850055 0.74
SCHEMBL9985347 0.73
SCHEMBL7857293 0.73 LTA4H (0.46) KDM4EALDH1A1HDAC1HTR1ASLC6A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232390-B2 Pentacyclic indole derivatives as antiviral agents ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2012-07-31 US disclosed
US-20100009959-A1 Pentacyclic Indole Derivatives as Antiviral Agents INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-01-14 US disclosed
EP-2027125-A1 PENTACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2009-02-25 EP disclosed
US-20090048239-A1 Therapeutic compounds MSD ITALIA S.R.L. (IT) 2009-02-19 US disclosed
WO-2007129119-A1 PENTACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-11-15 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 (2 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-20090048239-A1 Therapeutic compounds RRP1B, RCE1, CTSZ HPGD 2549/4885KDM4E 1806/4885ALDH1A1 1358/4885
US-20100009959-A1 Pentacyclic Indole Derivatives as Antiviral Agents IDO1, IDO2, ZC3HAV1 HPGD 436/4885KDM4E 2983/4885ALDH1A1 514/4885

“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.