Sugi Predict

Sugi Predict / Compounds / SCHEMBL2804907

SCHEMBL2804907

SCHEMBL2804907

O=S(=O)(c1csc2ccccc12)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 2/20 0.41
▸ HMOX1 P09601 1/20 0.40
▸ SCN9A Q15858 3/20 0.37
▸ FAAH O00519 2/20 0.35
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ MAPK1 P28482 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ ESR1 P03372 2/20 0.33
▸ ESR2 Q92731 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ BDKRB1 P46663 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32

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
SCHEMBL2802866 0.82 KMT2A (0.55) SCN9AALOX5APFEN1MAPK1KMT2A
SCHEMBL2805150 0.82 ALOX5AP (0.39) SCN9AFAAHALOX5APFEN1MAPK1
SCHEMBL2803967 0.82 HTR6 (0.43) HTR6SCN9AFAAHALOX5APFEN1
SCHEMBL2486484 0.81 MEN1 (0.51) HTR6SCN9AFAAHKMT2AMAPT
SCHEMBL2804968 0.80 TSHR (0.54) SCN9AMAPK1KMT2AL3MBTL1TSHR
SCHEMBL2802509 0.80 F10 (0.42) HTR6SCN9AFAAHALOX5APFEN1
SCHEMBL2803593 0.79 MAPK1 (0.46) HTR6SCN9AALOX5APFEN1MAPK1
SCHEMBL2808972 0.79 KMT2A (0.48) ALOX5APFEN1KMT2AL3MBTL1MAPT
SCHEMBL2804081 0.78 HTR6 (0.53) HTR6SCN9AKMT2ALMNAESR1
SCHEMBL2803265 0.78 SCN9A (0.37) HTR6SCN9AFAAHALOX5APFEN1

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 HTR6 697/4885HMOX1 593/4885SCN9A 3955/4885

“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.