Sugi Predict

Sugi Predict / Compounds / SCHEMBL2803231

SCHEMBL2803231

SCHEMBL2803231

O=S(=O)(c1ccc(F)cc1)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNB4 P30926 1/20 0.41
▸ CHRNA3 P32297 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ PKM P14618 2/20 0.39
▸ LMNA P02545 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ FAAH O00519 1/20 0.39
▸ PSEN1 P49768 2/20 0.39
▸ PSEN2 P49810 2/20 0.39
▸ APH1B Q8WW43 2/20 0.39
▸ NCSTN Q92542 2/20 0.39
▸ APH1A Q96BI3 2/20 0.39
▸ PSENEN Q9NZ42 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ NR3C1 P04150 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ L3MBTL1 Q9Y468 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
SCHEMBL2804811 0.89 PKM (0.44) PKMPOLB
SCHEMBL2804112 0.89 KMT2A (0.44) MEN1KMT2APKMLMNAMAPT
SCHEMBL2486484 0.89 MEN1 (0.51) MEN1KMT2APKMMAPTFAAH
SCHEMBL2804077 0.88 HDAC6 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2805569 0.88 KMT2A (0.43) MEN1KMT2AMAPTPSEN1PSEN2
SCHEMBL2805055 0.87 AKR1C3 (0.44) MEN1KMT2APKMFAAHPOLB
SCHEMBL2803516 0.86 HSD11B1 (0.40) PKMLMNA
SCHEMBL2802910 0.86 PKM (0.52) MEN1KMT2APKMLMNAKDM4E
SCHEMBL2806422 0.86 HDAC3 (0.42) MEN1KMT2APKMPSEN1PSEN2
SCHEMBL2802816 0.85 MKNK1 (0.46) KMT2APKMMAPTL3MBTL1

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 MEN1 1822/4885KMT2A 1795/4885CHRNB2 4008/4885

“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.