SCHEMBL15048014

SCHEMBL15048014

CC(C)(C)OC(=O)C1CCN(C(=O)OCc2ccccc2)[C@H](c2nc3cc(C#Cc4ccc5[nH]c([C@@H]6CN(C(=O)OC(C)(C)C)CCN6C(=O)OCc6ccccc6)nc5c4)ccc3[nH]2)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.39
PRMT5 O14744 7/20 0.39
TMEM97 Q5BJF2 3/20 0.37
SIGMAR1 Q99720 3/20 0.37
ROCK2 O75116 1/20 0.36
GRIN2B Q13224 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
STS P08842 1/20 0.36
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
ACACB O00763 1/20 0.35

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
SCHEMBL2195863 0.92 PARP1 (0.44) PARP1PRMT5ROCK2GRIN2BPDK1
SCHEMBL12422788 0.92 PARP1 (0.44) PARP1PRMT5ROCK2GRIN2BPDK1
SCHEMBL934253 0.90 PARP1 (0.43) PARP1PRMT5TMEM97SIGMAR1ROCK2
SCHEMBL934303 0.88 PARP1 (0.43) PARP1PRMT5ROCK2GRIN2BPDK1
SCHEMBL12509303 0.84 PARP1 (0.46) PARP1PRMT5ROCK2GRIN2BPDK1
SCHEMBL12509783 0.84 PARP1 (0.46) PARP1PRMT5ROCK2GRIN2BPDK1
SCHEMBL1041817 0.83 PARP1 (0.45) PARP1PRMT5ROCK2GRIN2BPDK1
SCHEMBL12509649 0.82 PRMT5 (0.44) PARP1PRMT5TMEM97SIGMAR1BACE1
SCHEMBL2775036 0.81 PARP1 (0.45) PARP1PRMT5ROCK2GRIN2BPDK1
SCHEMBL2197306 0.80 TMEM97 (0.41) TMEM97SIGMAR1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130157997-A1 BENZIMIDAZOLE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-20 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 (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-20130157997-A1 BENZIMIDAZOLE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS BRI3BP, BLVRB, BRIX1 PARP1 3389/4885PRMT5 2258/4885TMEM97 1176/4885

“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.