SCHEMBL2805067

SCHEMBL2805067

O=S(=O)(NC1CCc2c(cnc3[nH]ncc23)C1)c1cccc(Cl)c1F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 3/20 0.41
ADRA1A P35348 2/20 0.38
ADRA1B P35368 2/20 0.38
DRD2 P14416 1/20 0.38
ADRA1D P25100 1/20 0.38
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SLC40A1 Q9NP59 1/20 0.35
CCR4 P51679 1/20 0.35
TBXA2R P21731 3/20 0.35
RB1 P06400 1/20 0.35
PTGES2 Q9H7Z7 1/20 0.34
AKR1C3 P42330 1/20 0.34
HDAC8 Q9BY41 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
SCHEMBL2802818 0.90 SGK1 (0.40) SGK1ALDH1A1L3MBTL1
SCHEMBL2803149 0.90 ALDH1A1 (0.47) SGK1ALDH1A1L3MBTL1TBXA2RRB1
SCHEMBL2806810 0.90 ALDH1A1 (0.37) ALDH1A1L3MBTL1TBXA2RRB1HDAC8
SCHEMBL2803744 0.89 ALDH1A1 (0.37) SGK1ALDH1A1L3MBTL1SLC40A1CCR4
SCHEMBL2803977 0.87 TBXA2R (0.38) ALDH1A1L3MBTL1TBXA2RRB1HDAC8
SCHEMBL2804182 0.86 SGK1 (0.43) SGK1DRD2RB1HDAC8
SCHEMBL2806649 0.85 HDAC8 (0.40) SGK1RB1AKR1C3HDAC8
SCHEMBL2802245 0.84 SCN1A (0.35) SGK1RB1HDAC8
SCHEMBL2805284 0.84 SGK1 (0.46) SGK1
SCHEMBL2804416 0.83 RB1 (0.37) SGK1DRD2TBXA2RRB1HDAC8

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 SGK1 1977/4885ADRA1A 2356/4885ADRA1B 1436/4885

“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.