Sugi Predict

Sugi Predict / Compounds / SCHEMBL2805137

SCHEMBL2805137

SCHEMBL2805137

COc1cc(C)ccc1S(=O)(=O)NC1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ TP53 P04637 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ ALPL P05186 2/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ FGFR1 P11362 1/20 0.37
▸ FGFR2 P21802 1/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ BRD3 Q15059 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ AKR1C3 P42330 1/20 0.35
▸ GRM7 Q14831 1/20 0.35
▸ MEP1B Q16820 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
SCHEMBL2803283 0.89 L3MBTL1 (0.35) L3MBTL1SMN1; SMN2TP53CASP1BRD4
SCHEMBL2803951 0.89 BRD4 (0.39) L3MBTL1SMN1; SMN2TP53CASP1BRD4
SCHEMBL2802855 0.85 CTSL (0.45) L3MBTL1SMN1; SMN2TP53CASP1ALPL
SCHEMBL2806444 0.85 SGK1 (0.47) L3MBTL1
SCHEMBL2803943 0.85 L3MBTL1 (0.41) L3MBTL1SMN1; SMN2TP53CASP1ALPL
SCHEMBL12315802 0.84 FGFR1 (0.39) L3MBTL1CA1CA2ACHEFGFR1
SCHEMBL2808034 0.83 HDAC8 (0.52) SMN1; SMN2TP53CA1CA2ACHE
SCHEMBL2804951 0.83 ALDH1A1 (0.44) SMN1; SMN2TSHR
SCHEMBL2806231 0.82 KDM4E (0.37) CA1CA2
SCHEMBL2802832 0.81 USP30 (0.43) BRD4BRD3

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 L3MBTL1 4308/4885SMN1; SMN2 1523/4885TP53 14/4885

“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.