SCHEMBL1359529

SCHEMBL1359529

CC(C)(C)c1cc(-c2ccc[nH]c2=O)cc2c(C(=O)N3CCCCC3)coc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
POLB P06746 2/20 0.36
HPGD P15428 4/20 0.35
ALDH1A1 P00352 4/20 0.35
TSHR P16473 3/20 0.35
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LPAR5 Q9H1C0 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
GLA P06280 1/20 0.34
LMNA P02545 1/20 0.34
XBP1 P17861 1/20 0.34
HIF1A Q16665 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP3A4 P08684 3/20 0.34
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL1359385 0.99 MAPT (0.36) MAPTPOLBHPGDALDH1A1TSHR
SCHEMBL1359911 0.97 MAPT (0.34) MAPTPOLBHPGDALDH1A1TSHR
SCHEMBL1360394 0.92 PARP1 (0.41) HPGDHTTNPSR1KDM4EPDE1A
SCHEMBL1358783 0.92 HSP90AA1 (0.39) ALDH1A1SMN1; SMN2GAA
SCHEMBL1359635 0.92 HSP90AA1 (0.38) MAPTHPGDALDH1A1LMNACYP3A4
SCHEMBL1357846 0.91 HSP90AA1 (0.40) CYP3A4PDE1APDE1BPDE1CGAA
SCHEMBL1358003 0.90 CRBN (0.36) CYP3A4PDE1APDE1BPDE4DPDE7A
SCHEMBL1357836 0.89 ALDH1A1 (0.38) MAPTPOLBHPGDALDH1A1HTT
SCHEMBL1360205 0.89 KDM1A (0.38) CYP3A4
SCHEMBL1359797 0.89 CHEK1 (0.38) CYP3A4NPC1GAARAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067442-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2011-11-29 US claimed
EP-2334662-A1 PYRINE OR PYRAZINE DERIVATIVES FOR TREATING HCV F. Hoffmann-La Roche AG (CH) 2011-06-22 EP claimed
US-20100081658-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC 2010-04-01 US claimed
WO-2010034671-A1 PYRINE OR PYRAZINE DERIVATIVES FOR TREATING HCV F. HOFFMANN-LA ROCHE AG (CH) 2010-04-01 WO claimed

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-20100081658-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, POLR2A, HCCS MAPT 4657/4885POLB 32/4885HPGD 2258/4885

“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.