SCHEMBL1702758

SCHEMBL1702758

CC(C)(C)C1CCc2ccc(Br)cc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PARP1 P09874 1/20 0.44
TYMS P04818 2/20 0.38
SRD5A1 P18405 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
S100A4 P26447 1/20 0.35
METAP1 P53582 2/20 0.35
PBRM1 Q86U86 2/20 0.35
CYP19A1 P11511 2/20 0.35
TDP2 O95551 1/20 0.34
PARP11 Q9NR21 1/20 0.34

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
SCHEMBL28512273 0.84 ACHE (0.40) PARP10TDP1L3MBTL1PARP1TYMS
SCHEMBL447309 0.79 TDP1 (0.47) PARP10TDP1L3MBTL1PARP1TYMS
SCHEMBL28905422 0.79 PARP10 (0.39) PARP10TDP1L3MBTL1PARP1TYMS
SCHEMBL25001847 0.77 CYP19A1 (0.47) TDP1CYP19A1
SCHEMBL12084005 0.77 HTR2A (0.46) SRD5A1
SCHEMBL6187453 0.77 PARP10 (0.49) PARP10TDP1L3MBTL1PARP1TYMS
SCHEMBL30715513 0.76 PARP10 (0.47) PARP10TDP1L3MBTL1PARP1TYMS
SCHEMBL29116217 0.76 PARP10 (0.47) PARP10TDP1L3MBTL1PARP1TYMS
SCHEMBL29116309 0.76 PARP10 (0.47) PARP10TDP1L3MBTL1PARP1TYMS
SCHEMBL30715512 0.76 PARP10 (0.47) PARP10TDP1L3MBTL1PARP1TYMS

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-2440528-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-10-08 EP disclosed
US-8487103-B2 Quinoline inhibitors of hepatitis C virus polymerase ROCHE PALO ALTO LLC (US) 2013-07-16 US disclosed
EP-2440528-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-04-18 EP disclosed
US-20110300103-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC (US) 2011-12-08 US disclosed
US-8026253-B2 Quinoline inhibitors of HCV polymerase ROCHE PALO ALTO LLC (US) 2011-09-27 US disclosed
WO-2010142656-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO disclosed
US-20100311760-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS DE VICENTE FIDALGO JAVIER 2010-12-09 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-20100311760-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, XDH, GTF3C4 PARP10 1677/4885TDP1 2359/4885L3MBTL1 3208/4885
US-20110300103-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, ZC3HAV1, IRF3 PARP10 1479/4885TDP1 3368/4885L3MBTL1 1691/4885

“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.