Sugi Predict

Sugi Predict / Compounds / SCHEMBL2803265

SCHEMBL2803265

SCHEMBL2803265

O=S(=O)(c1ccsc1)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.37
▸ CYP3A4 P08684 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ FAAH O00519 2/20 0.34
▸ CHEK1 O14757 1/20 0.33
▸ CHEK2 O96017 1/20 0.33
▸ GBA1 P04062 1/20 0.33
▸ NAMPT P43490 2/20 0.32
▸ LMNA P02545 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ AKR1C3 P42330 3/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ AKR1C1 Q04828 1/20 0.31
▸ TMEM97 Q5BJF2 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31
▸ ALOX5AP P20292 1/20 0.30
▸ FEN1 P39748 1/20 0.30

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
SCHEMBL2486484 0.84 MEN1 (0.51) SCN9AHTR6MEN1KMT2AFAAH
SCHEMBL2803231 0.83 MEN1 (0.51) MEN1KMT2AFAAHLMNA
SCHEMBL2804811 0.83 PKM (0.44) TSHR
SCHEMBL2804112 0.83 KMT2A (0.44) MEN1KMT2ALMNASMN1; SMN2
SCHEMBL2804968 0.81 TSHR (0.54) SCN9AKMT2ASMN1; SMN2TSHRMAPK1
SCHEMBL2806789 0.81 TMEM97 (0.43) SCN9AFAAHLMNASMN1; SMN2AKR1C3
SCHEMBL2804077 0.80 HDAC6 (0.47) NAMPT
SCHEMBL2805569 0.80 KMT2A (0.43) MEN1KMT2AALOX5APFEN1
SCHEMBL2803516 0.80 HSD11B1 (0.40) NAMPTLMNATSHR
SCHEMBL2802910 0.80 PKM (0.52) MEN1KMT2ALMNASMN1; SMN2TSHR

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 SCN9A 3955/4885CYP3A4 811/4885HTR6 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.