SCHEMBL2406501

SCHEMBL2406501

NC(=O)CCCC1CCCc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.52
PARP2 Q9UGN5 1/20 0.52
SIGMAR1 Q99720 3/20 0.50
CYP19A1 P11511 1/20 0.47
TBXAS1 P24557 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
HTR6 P50406 1/20 0.46

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
SCHEMBL10586712 0.88 SIGMAR1 (0.53) PARP1PARP2SIGMAR1CYP19A1TBXAS1
SCHEMBL30658590 0.88 SIGMAR1 (0.50) PARP1PARP2SIGMAR1CYP19A1TBXAS1
SCHEMBL29114059 0.88 SIGMAR1 (0.50) PARP1PARP2SIGMAR1CYP19A1TBXAS1
SCHEMBL10585573 0.87 SIGMAR1 (0.49) PARP1PARP2SIGMAR1CYP19A1TBXAS1
SCHEMBL830267 0.84 SIGMAR1 (0.49) SIGMAR1
SCHEMBL1725811 0.83 BLM (0.50) PARP1PARP2
SCHEMBL30572310 0.83 BLM (0.50) PARP1PARP2
SCHEMBL15882484 0.83 MTNR1A (0.55) PARP1PARP2HTR6
SCHEMBL17335656 0.83 MTNR1A (0.55) PARP1PARP2HTR6
SCHEMBL7697230 0.83 HTR2C (0.54) PARP1PARP2SIGMAR1CYP19A1TBXAS1

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-9611473-B2 Double-stranded nucleic acid compounds QUARK PHARMACEUTICALS, INC. (US) 2017-04-04 US disclosed
US-20150259676-A1 DOUBLE-STRANDED NUCLEIC ACID COMPOUNDS QUARK PHARMACEUTICALS, INC. (US) 2015-09-17 US disclosed
WO-2014043291-A1 DOUBLE-STRANDED NUCLEIC ACID COMPOUNDS QUARK PHARMACEUTICALS, INC. (US) 2014-03-20 WO disclosed
US-8389720-B2 Quinolone neuropeptide S receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-03-05 US disclosed
US-20110212946-A1 Quinolone Neuropeptide S Receptor Antagonists MERCK SHARP & DOHME LLC 2011-09-01 US disclosed
EP-1799637-A1 SUBSTITUTED SULFONAMIDOPROPIONAMIDES AND METHODS OF USE Amgen, Inc (US) 2007-06-27 EP disclosed
WO-2006036664-A1 SUBSTITUTED SULFONAMIDOPROPIONAMIDES AND METHODS OF USE AMGEN INC. (US) 2006-04-06 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-20110212946-A1 Quinolone Neuropeptide S Receptor Antagonists NPSR1, NPY1R, NPY2R PARP1 2816/4885PARP2 3869/4885SIGMAR1 194/4885

“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.