SCHEMBL810754

SCHEMBL810754

[c]1nc2ccccc2n1-c1nccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
G6PD P11413 1/20 0.37
PKM P14618 1/20 0.37
MPI P34949 1/20 0.37
EP300 Q09472 1/20 0.37
KAT2A Q92830 1/20 0.37
KAT2B Q92831 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 2/20 0.36
GLA P06280 1/20 0.36
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 2/20 0.34
PDE10A Q9Y233 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
SCHEMBL11625717 0.71 POLB (0.50) ALDH1A1MAPTEP300KAT2BTDP1
SCHEMBL5547501 0.71 HSD17B10 (0.40) KDM4EALDH1A1GAAMAPTG6PD
SCHEMBL4261856 0.71 RAB9A (0.45) KDM4EALDH1A1MAPTKAT2AKAT2B
SCHEMBL1387982 0.70 PDE10A (0.54) ALDH1A1LMNAGLAPDE10ACYP17A1
SCHEMBL67806 0.70 HTT (0.42) KDM4EALDH1A1GAAMAPTPKM
SCHEMBL8414958 0.69 RAB9A (0.54) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL8414962 0.68 KDM4E (0.43) KDM4EALDH1A1GAAMAPTG6PD
SCHEMBL5759004 0.68 PDE10A (0.33) NPSR1RAB9APDE10A
SCHEMBL4870334 0.67 KDM4E (0.49) KDM4EALDH1A1GAAMAPTG6PD
SCHEMBL11097221 0.67 CSNK1A1 (0.61) KDM4EALDH1A1KMT2AMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 US disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 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-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 KDM4E 1822/4885ALDH1A1 2723/4885GAA 504/4885

“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.