SCHEMBL2803943

SCHEMBL2803943

COc1ccc(Br)cc1S(=O)(=O)NC1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
BRD4 O60885 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
BRD3 Q15059 1/20 0.40
GLA P06280 1/20 0.40
TP53 P04637 1/20 0.39
CASP1 P29466 1/20 0.39
ALPL P05186 7/20 0.39
PKM P14618 1/20 0.39
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL2802855 0.90 CTSL (0.45) L3MBTL1DRD2ADRA1DADRA1AADRA1B
SCHEMBL2802675 0.86 HDAC8 (0.34) HDAC8
SCHEMBL2805137 0.85 L3MBTL1 (0.44) L3MBTL1BRD4SMN1; SMN2BRD3TP53
SCHEMBL2805651 0.84 HDAC8 (0.42) TP53HDAC8
SCHEMBL2808034 0.84 HDAC8 (0.52) DRD2ADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL12315802 0.84 FGFR1 (0.39) L3MBTL1BRD4BRD3HDAC8
SCHEMBL2804988 0.82 MCHR1 (0.37) HDAC8
SCHEMBL2803976 0.79 TBXA2R (0.42) GLAHDAC8
SCHEMBL2803256 0.79 HDAC8 (0.42) HDAC8
SCHEMBL2803283 0.79 L3MBTL1 (0.35) L3MBTL1BRD4SMN1; SMN2TP53CASP1

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
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
WO-2010078427-A1 SUBSTITUTED PYRAZOLO [3, 4-B] PYRIDINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 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-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS NQO1, IDH3B, IDH1 L3MBTL1 4308/4885DRD2 2792/4885ADRA1D 2497/4885

“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.