SCHEMBL2272736

SCHEMBL2272736

COC(=O)c1ccc2c(C3CCCCC3)c(-c3cccc(C=O)c3OC)[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.43
KIF11 P52732 1/20 0.43
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
TUBB4A P04350 2/20 0.38
TUBB P07437 2/20 0.38
TUBA3C P0DPH7 2/20 0.38
TUBA1B P68363 2/20 0.38
TUBA4A P68366 2/20 0.38
TUBB4B P68371 2/20 0.38
TUBB3 Q13509 2/20 0.38
TUBB2A Q13885 2/20 0.38
TUBB8 Q3ZCM7 2/20 0.38
TUBA3E Q6PEY2 2/20 0.38
TUBA1A Q71U36 2/20 0.38
TUBA1C Q9BQE3 2/20 0.38
TUBB6 Q9BUF5 2/20 0.38
TUBB2B Q9BVA1 2/20 0.38
TUBB1 Q9H4B7 2/20 0.38
GSK3B P49841 2/20 0.37

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
SCHEMBL3247853 0.91 PARP1 (0.49) PARP1KIF11HCRTR1HCRTR2GSK3B
SCHEMBL2276592 0.90 PARP1 (0.44) PARP1KIF11HCRTR1HCRTR2GSK3B
SCHEMBL3247052 0.84 PARP1 (0.42) PARP1KIF11GSK3BRAB9ACSNK2A1
SCHEMBL3088394 0.84 PARP1 (0.48) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL772672 0.83 PARP1 (0.44) PARP1KIF11TUBB4ATUBBTUBA3C
SCHEMBL13936706 0.83 PARP1 (0.51) PARP1KIF11TUBB4ATUBBTUBA3C
SCHEMBL2274667 0.82 PARP1 (0.46) PARP1KIF11TUBB4ATUBBTUBA3C
SCHEMBL393420 0.82 PARP1 (0.52) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL3793445 0.81 PARP1 (0.47) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL393756 0.81 PARP1 (0.51) PARP1KIF11GSK3BCCNB2CDK1

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 7 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
WO-2010082050-A1 MACROCYCLIC AND 7-AMINOALKYL-SUBSTITUTED BENZOXAZOCINES FOR TREATMENT OF HEPATITIS C INFECTIONS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2010-07-22 WO 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
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
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

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-20090048239-A1 Therapeutic compounds RRP1B, RCE1, CTSZ PARP1 1571/4885KIF11 3194/4885HCRTR1 2785/4885

“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.