Sugi Predict

Sugi Predict / Compounds / SCHEMBL2804197

SCHEMBL2804197

SCHEMBL2804197

Cc1ccc(C)c(S(=O)(=O)N2CCc3c(cnc4[nH]ncc34)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.41
▸ LMNA P02545 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ MITF O75030 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CNR1 P21554 1/20 0.37

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
SCHEMBL2802794 0.92 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2LMNAKDM4EGAA
SCHEMBL2805747 0.90 SGK1 (0.42) L3MBTL1LMNAMAPTMEN1KMT2A
SCHEMBL12316156 0.90 SGK1 (0.40) ALDH1A1SMN1; SMN2RAB9AL3MBTL1LMNA
SCHEMBL2803297 0.90 ALOX5AP (0.37) ALDH1A1SMN1; SMN2RAB9ALMNAKDM4E
SCHEMBL12316157 0.88 SGK1 (0.35) ALDH1A1SMN1; SMN2KDM4EGAAMAPT
SCHEMBL2805150 0.88 ALOX5AP (0.39) L3MBTL1LMNAMAPK1MEN1KMT2A
SCHEMBL2805945 0.86 MCOLN3 (0.48) ALDH1A1SMN1; SMN2LMNAGAAMAPK1
SCHEMBL2804811 0.85 PKM (0.44) ALDH1A1HTTGAA
SCHEMBL2805985 0.85 KMT2A (0.39) ALDH1A1SMN1; SMN2RAB9ALMNAKDM4E
SCHEMBL2803975 0.84 NPSR1 (0.43) ALDH1A1L3MBTL1KDM4ENPC1GAA

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 6 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

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 ALDH1A1 460/4885SMN1; SMN2 1523/4885RAB9A 1240/4885

“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.