Sugi Predict

Sugi Predict / Compounds / SCHEMBL2809138

SCHEMBL2809138

SCHEMBL2809138

Cc1cc(S(=O)(=O)NC2CCc3c(cnc4[nH]ncc34)C2)c(C)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ HTR6 P50406 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ TBXA2R P21731 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ SGK1 O00141 1/20 0.33
▸ BRD4 O60885 5/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ BRD2 P25440 2/20 0.32
▸ BRD3 Q15059 2/20 0.32
▸ HSD17B1 P14061 1/20 0.31
▸ HSD17B2 P37059 1/20 0.31
▸ KEAP1 Q14145 1/20 0.31
▸ NFE2L2 Q16236 1/20 0.31

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
SCHEMBL2804144 0.86 TBXA2R (0.42) HTR6LMNAMAPTTBXA2RHDAC8
SCHEMBL2803283 0.85 L3MBTL1 (0.35) MEN1KMT2ATSHRSMN1; SMN2SGK1
SCHEMBL2803951 0.85 BRD4 (0.39) MEN1KMT2ATSHRSMN1; SMN2SGK1
SCHEMBL2806698 0.84 HDAC8 (0.40) MEN1KMT2AMAPTTSHRSMN1; SMN2
SCHEMBL2802832 0.84 USP30 (0.43) HDAC8SGK1BRD4BRD2BRD3
SCHEMBL2803744 0.84 ALDH1A1 (0.37) HTR6TBXA2RSGK1ALDH1A1
SCHEMBL2802123 0.83 HDAC8 (0.50) KMT2AGAAMAPTTBXA2RHDAC8
SCHEMBL2805609 0.83 SGK1 (0.44) HDAC8SGK1
SCHEMBL2807827 0.83 PAK1 (0.36) KMT2ALMNAHTTMAPTTBXA2R
SCHEMBL2803149 0.83 ALDH1A1 (0.47) MEN1KMT2ATBXA2RHDAC8SGK1

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 MEN1 1822/4885KMT2A 1795/4885HTR6 697/4885

“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.