SCHEMBL2452346

SCHEMBL2452346

COc1c(C(C)(C)C)cc(Br)c2ccc(N3CC[C@H](CNS(C)(=O)=O)C3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.42
ALDH1A1 P00352 10/20 0.42
TDP1 Q9NUW8 6/20 0.42
KDM4E B2RXH2 4/20 0.42
ALOX15 P16050 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
GAA P10253 3/20 0.42
DRD2 P14416 2/20 0.37
DRD4 P21917 2/20 0.37
DRD3 P35462 2/20 0.37
MCL1 Q07820 3/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GFER P55789 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL2451535 0.83 MAPT (0.38) MAPTALDH1A1TDP1KDM4EALOX15
SCHEMBL12302390 0.81 MAPT (0.37) MAPTALDH1A1TDP1KDM4EALOX15
SCHEMBL12302432 0.81 MAPT (0.36) MAPTALDH1A1TDP1KDM4EALOX15
SCHEMBL1702654 0.75 CYP3A4 (0.33) CYP3A4
SCHEMBL2447555 0.74 CRBN (0.40) MAPTALDH1A1TDP1KDM4EALOX15
SCHEMBL2448864 0.74 CYP3A4 (0.40) MAPTALDH1A1TDP1KDM4EALOX15
SCHEMBL3796409 0.74 CYP3A4 (0.40) MAPTALDH1A1TDP1KDM4EALOX15
SCHEMBL2448595 0.74 AURKA (0.36) MAPTALDH1A1TDP1KDM4EALOX15
SCHEMBL1703017 0.74 IRAK1 (0.35) MAPTALDH1A1TDP1KDM4EALOX15
SCHEMBL2452207 0.74 IRAK1 (0.35) MAPTALDH1A1TDP1KDM4EALOX15

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 5 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
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
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 MAPT 4670/4885ALDH1A1 1266/4885TDP1 2359/4885
US-20110300103-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, ZC3HAV1, IRF3 MAPT 4753/4885ALDH1A1 2014/4885TDP1 3368/4885

“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.