SCHEMBL2274121

SCHEMBL2274121

COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc(F)cc3O)[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.50
HTR2A P28223 3/20 0.45
KCNH2 Q12809 3/20 0.45
KIF11 P52732 1/20 0.45
HTR2C P28335 2/20 0.41
DRD2 P14416 1/20 0.41
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAP2K4 P45985 1/20 0.40
RAB9A P51151 1/20 0.39
CSNK2A1 P68400 1/20 0.39
GSK3B P49841 1/20 0.39
MAPK1 P28482 1/20 0.38
HPGD P15428 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL771442 0.88 PARP1 (0.48) PARP1HTR2AKCNH2KIF11HTR2C
SCHEMBL2279943 0.88 PARP1 (0.45) PARP1KIF11ALDH1A1SMN1; SMN2ATM
SCHEMBL393420 0.88 PARP1 (0.52) PARP1KIF11ALDH1A1SMN1; SMN2ATM
SCHEMBL3093015 0.84 PARP1 (0.43) PARP1HTR2AKCNH2KIF11HTR2C
SCHEMBL1952762 0.83 PAX8 (0.44) PARP1KIF11HPGDALOX5APFEN1
SCHEMBL771436 0.83 PARP1 (0.43) PARP1HTR2AKCNH2KIF11HTR2C
SCHEMBL13936706 0.83 PARP1 (0.51) PARP1KIF11ALDH1A1SMN1; SMN2ATM
SCHEMBL2274667 0.82 PARP1 (0.46) PARP1KIF11ALDH1A1SMN1; SMN2KMT2A
SCHEMBL3098130 0.82 PARP1 (0.41) PARP1HTR2AKCNH2KIF11HTR2C
SCHEMBL771997 0.81 PARP1 (0.44) PARP1KIF11ALDH1A1SMN1; SMN2ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989438-B2 Therapeutic compounds ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-08-02 US disclosed
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-2178885-A1 MACROCYCLIC INDOLE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INFECTIONS Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2010-04-28 EP disclosed
EP-2178886-A1 MACROCYCLIC INDOLE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INFECTIONS Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2010-04-28 EP disclosed
US-20090048239-A1 Therapeutic compounds MSD ITALIA S.R.L. (IT) 2009-02-19 US disclosed
WO-2009010783-A1 MACROCYCLIC INDOLE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INFECTIONS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-01-22 WO disclosed
WO-2009010785-A1 MACROCYCLIC INDOLE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INFECTIONS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-01-22 WO 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 (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 PARP1 1571/4885HTR2A 3606/4885KCNH2 2797/4885
US-20060100262-A1 Tetracyclic indole derivatives as antiviral agents IDO1, ZC3HAV1, IDO2 PARP1 807/4885HTR2A 54/4885KCNH2 1341/4885

“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.