SCHEMBL2803977

SCHEMBL2803977

O=S(=O)(NC1CCc2c(cnc3[nH]ncc23)C1)c1c(Cl)cccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 5/20 0.38
PAK1 Q13153 6/20 0.36
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
ACHE P22303 2/20 0.34
MET P08581 1/20 0.34
FLT3 P36888 1/20 0.34
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 1/20 0.33
RB1 P06400 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TBXAS1 P24557 1/20 0.32

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
SCHEMBL2802818 0.89 SGK1 (0.40) PAK1ALDH1A1L3MBTL1
SCHEMBL2803149 0.89 ALDH1A1 (0.47) TBXA2RPAK1CA1CA2HDAC8
SCHEMBL2806810 0.88 ALDH1A1 (0.37) TBXA2RPAK1HDAC8RB1ALDH1A1
SCHEMBL2804416 0.88 RB1 (0.37) TBXA2RCA1CA2ACHEHDAC8
SCHEMBL2803744 0.87 ALDH1A1 (0.37) TBXA2RPAK1CA1CA2ACHE
SCHEMBL2805067 0.87 SGK1 (0.41) TBXA2RHDAC8RB1ALDH1A1L3MBTL1
SCHEMBL2804752 0.85 HDAC8 (0.50) TBXA2RHDAC8HDAC6TBXAS1
SCHEMBL2489862 0.84 RB1 (0.43) TBXA2RCA1CA2HDAC8RB1
SCHEMBL2808103 0.84 HDAC8 (0.49) TBXA2RPAK1HDAC8HDAC6RB1
SCHEMBL2802123 0.83 HDAC8 (0.50) TBXA2RPAK1HDAC8HDAC6TBXAS1

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 TBXA2R 947/4885PAK1 717/4885CA1 4592/4885

“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.