SCHEMBL4044613

SCHEMBL4044613

C/C(=C1\SC(=O)NC1=O)c1ccc(OCCOc2c(-c3ccc(F)c(F)c3)n(C)c3cc(F)ccc3c2=O)cc1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.34
PARP3 Q9Y6F1 2/20 0.34
HDAC4 P56524 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL4044618 1.00 PARP1 (0.34) PARP1PARP3HDAC4ATM
SCHEMBL5043749 0.94 ATM (0.32) HDAC4ATM
SCHEMBL14011669 0.94 ATM (0.32) HDAC4ATM
SCHEMBL5043744 0.94 ATM (0.32) HDAC4ATM
SCHEMBL4214661 0.93 FFAR1 (0.33)
SCHEMBL4214663 0.93 FFAR1 (0.33)
SCHEMBL4045700 0.92 PKM (0.34)
SCHEMBL4045702 0.92 PKM (0.34)
SCHEMBL5047027 0.89 POLB (0.34) PARP1PARP3HDAC4
SCHEMBL5047026 0.89 POLB (0.34) PARP1PARP3HDAC4

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
EP-1678157-A4 HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THEREOF REDDY US THERAPEUTICS INC (US) 2009-03-18 EP disclosed
US-7456288-B2 Heterocyclic compounds and methods of making and using thereof REDDY US THERAPEUTICS, INC. (US) 2008-11-25 US disclosed
US-7456288-B2 Heterocyclic compounds and methods of making and using thereof REDDY US THERAPEUTICS, INC. (US) 2008-11-25 US disclosed
US-7456288-B2 Heterocyclic compounds and methods of making and using thereof REDDY US THERAPEUTICS, INC. (US) 2008-11-25 US disclosed
EP-1678157-A2 HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THEREOF Reddy US Therapeutics, Inc. (US) 2006-07-12 EP disclosed
US-20050119269-A1 Heterocyclic compounds and methods of making and using thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-06-02 US disclosed
WO-2005042712-A2 HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THEREOF REDDY US THERAPEUTICS, INC. (US) 2005-05-12 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-20050119269-A1 Heterocyclic compounds and methods of making and using thereof PYGM, MYLK, HMOX1 PARP1 1223/4885PARP3 2363/4885HDAC4 1436/4885

“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.