Sugi Predict

Sugi Predict / Compounds / SCHEMBL2804490

SCHEMBL2804490

SCHEMBL2804490

O=S(=O)(c1ccc(Cl)cc1Cl)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.42
▸ TRPV4 Q9HBA0 4/20 0.42
▸ PKM P14618 2/20 0.38
▸ SCN9A Q15858 1/20 0.37
▸ PGR P06401 1/20 0.37
▸ KDM2B Q8NHM5 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ TRPM8 Q7Z2W7 1/20 0.37
▸ RPS6KB1 P23443 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ ACLY P53396 1/20 0.36
▸ PAK1 Q13153 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL2806857 0.92 PKM (0.48) PKMMAPTKMT2ATDP1USP2
SCHEMBL12316157 0.90 SGK1 (0.35) SCN9AGAAMAPTUSP2ALDH1A1
SCHEMBL2805031 0.90 MKNK1 (0.45) PKMSCN9AKMT2ARPS6KB1ALDH1A1
SCHEMBL2805084 0.90 EPHX2 (0.41) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL2805902 0.89 SGK1 (0.41) PKMSCN9AKMT2A
SCHEMBL2803967 0.88 HTR6 (0.43) SCN9AMAPTKMT2AUSP2PAK1
SCHEMBL2805052 0.88 SCN9A (0.41) HSD11B1TRPV4SCN9AKMT2APAK1
SCHEMBL2804112 0.85 KMT2A (0.44) PKMMAPTKMT2AHTTPSEN1
SCHEMBL12316156 0.84 SGK1 (0.40) PKMGAAMAPTKMT2AUSP2
SCHEMBL2808596 0.84 MEN1 (0.45) KMT2ARPS6KB1ALDH1A1

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 HSD11B1 1915/4885TRPV4 2499/4885PKM 1722/4885

“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.