Sugi Predict

Sugi Predict / Compounds / SCHEMBL2803517

SCHEMBL2803517

SCHEMBL2803517

CS(=O)(=O)c1ccc(S(=O)(=O)NC2CCc3c(cnc4[nH]ncc34)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RB1 P06400 1/20 0.40
▸ TBXA2R P21731 4/20 0.38
▸ HDAC8 Q9BY41 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ROCK2 O75116 2/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ ACHE P22303 2/20 0.35
▸ PNMT P11086 1/20 0.34
▸ TBXAS1 P24557 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL2804951 0.92 ALDH1A1 (0.44) RB1TBXA2RKDM4ERECQLSMN1; SMN2
SCHEMBL2805699 0.89 RB1 (0.52) RB1TBXA2RHDAC8
SCHEMBL2489862 0.89 RB1 (0.43) RB1TBXA2RHDAC8SMN1; SMN2CA1
SCHEMBL2804624 0.89 KIT (0.42) RB1TBXA2RTBXAS1ALDH1A1MEN1
SCHEMBL2803976 0.89 TBXA2R (0.42) RB1TBXA2RHDAC8CA1CA2
SCHEMBL2803941 0.88 ALDH1A1 (0.49) RB1TBXA2RHDAC8SMN1; SMN2PNMT
SCHEMBL2806129 0.87 KCNH2 (0.41) RB1TBXA2RHDAC8
SCHEMBL2803968 0.86 KMT2A (0.53) TBXA2RKDM4ESMN1; SMN2CA1CA2
SCHEMBL2803956 0.85 MAPK8 (0.36) SMN1; SMN2CA1CA2ACHETSHR
SCHEMBL2808103 0.85 HDAC8 (0.49) RB1TBXA2RHDAC8SMN1; SMN2PNMT

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 RB1 78/4885TBXA2R 947/4885HDAC8 615/4885

“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.