Sugi Predict

Sugi Predict / Compounds / SCHEMBL2803149

SCHEMBL2803149

SCHEMBL2803149

O=S(=O)(NC1CCc2c(cnc3[nH]ncc23)C1)c1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ HTR1A P08908 1/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.37
▸ PAK1 Q13153 5/20 0.36
▸ TBXA2R P21731 2/20 0.35
▸ RB1 P06400 1/20 0.35
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ SGK1 O00141 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ HRH2 P25021 1/20 0.33
▸ HRH1 P35367 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 0.92 SGK1 (0.40) ALDH1A1L3MBTL1PAK1SGK1
SCHEMBL2806810 0.91 ALDH1A1 (0.37) ALDH1A1L3MBTL1HTR1AHTR7MEN1
SCHEMBL2805067 0.90 SGK1 (0.41) ALDH1A1L3MBTL1HDAC8TBXA2RRB1
SCHEMBL2803744 0.90 ALDH1A1 (0.37) ALDH1A1L3MBTL1PAK1TBXA2RCA1
SCHEMBL2803977 0.89 TBXA2R (0.38) ALDH1A1L3MBTL1HDAC8PAK1TBXA2R
SCHEMBL2805609 0.88 SGK1 (0.44) HDAC8SGK1
SCHEMBL2802123 0.88 HDAC8 (0.50) KMT2AHDAC8PAK1TBXA2RSGK1
SCHEMBL2807827 0.88 PAK1 (0.36) ALDH1A1KMT2APAK1TBXA2RRB1
SCHEMBL2804182 0.88 SGK1 (0.43) HDAC8RB1SGK1
SCHEMBL2806649 0.86 HDAC8 (0.40) HDAC8RB1SGK1

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 ALDH1A1 460/4885L3MBTL1 4308/4885HTR1A 2812/4885

“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.