Sugi Predict

Sugi Predict / Compounds / SCHEMBL2805985

SCHEMBL2805985

SCHEMBL2805985

Cc1cc(S(=O)(=O)N2CCc3c(cnc4[nH]ncc34)C2)c(C)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ EPHX2 P34913 1/20 0.35
▸ MAPT P10636 4/20 0.34
▸ HTR6 P50406 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ FGFR2 P21802 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ TSHR P16473 2/20 0.33
▸ SOD1 P00441 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ USP2 O75604 1/20 0.33

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
SCHEMBL2802935 0.86 MAPT (0.41) KMT2AMEN1MAPTHTR6ALDH1A1
SCHEMBL12316156 0.85 SGK1 (0.40) KMT2AMAPTNPC1ALDH1A1LMNA
SCHEMBL12316157 0.85 SGK1 (0.35) MAPTHTR6ALDH1A1SMN1; SMN2TSHR
SCHEMBL12316149 0.85 KMT2A (0.41) KMT2AMEN1HTR6ALDH1A1LMNA
SCHEMBL2804197 0.85 ALDH1A1 (0.46) KMT2AMEN1MAPTNPC1ALDH1A1
SCHEMBL2802794 0.85 SMN1; SMN2 (0.41) KMT2AEPHX2MAPTALDH1A1LMNA
SCHEMBL2809144 0.83 HTR6 (0.43) HTR6LMNASMN1; SMN2
SCHEMBL2803297 0.83 ALOX5AP (0.37) KMT2AMEN1MAPTNPC1ALDH1A1
SCHEMBL2805110 0.83 MAPT (0.37) EPHX2MAPTHCRTR1HCRTR2FGFR1
SCHEMBL2807743 0.83 EPHX2 (0.41) KMT2AMEN1EPHX2FGFR1FGFR2

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 KMT2A 1795/4885MEN1 1822/4885EPHX2 2353/4885

“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.