Sugi Predict

Sugi Predict / Compounds / SCHEMBL2804161

SCHEMBL2804161

SCHEMBL2804161

O=S(=O)(NC1CCc2c(cnc3[nH]ncc23)C1)c1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ HTR6 P50406 1/20 0.37
▸ MCL1 Q07820 3/20 0.36
▸ SGK1 O00141 4/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ CYP2D6 P10635 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ HDAC8 Q9BY41 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ EPHX2 P34913 1/20 0.35

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
SCHEMBL2802939 0.93 HDAC8 (0.39) MCL1SGK1CYP2D6KCNH2GRIN2B
SCHEMBL2805609 0.88 SGK1 (0.44) SGK1HDAC8
SCHEMBL2806129 0.85 KCNH2 (0.41) HTR6CYP2D6KCNH2GRIN2BHDAC8
SCHEMBL2803149 0.84 ALDH1A1 (0.47) ALDH1A1L3MBTL1SGK1JAK2JAK1
SCHEMBL2804187 0.84 CYP3A4 (0.44) ALDH1A1LMNAJAK1HDAC8TSHR
SCHEMBL2804200 0.84 HDAC8 (0.52) LMNAHTR6HDAC8TSHRPAK1
SCHEMBL2806649 0.83 HDAC8 (0.40) HTR6SGK1HDAC8
SCHEMBL2802123 0.82 HDAC8 (0.50) SGK1HDAC8KMT2APAK1
SCHEMBL2805284 0.81 SGK1 (0.46) SGK1
SCHEMBL2802245 0.81 SCN1A (0.35) SGK1HDAC8

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 4308/4885LMNA 1591/4885

“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.