SCHEMBL2806789

SCHEMBL2806789

O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 6/20 0.43
SIGMAR1 Q99720 6/20 0.43
CNR1 P21554 4/20 0.39
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
AKR1C3 P42330 3/20 0.35
AKR1C2 P52895 1/20 0.35
FAAH O00519 1/20 0.35
SCN9A Q15858 1/20 0.35
RPS6KB1 P23443 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AKR1C1 Q04828 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
SCHEMBL2808596 0.89 MEN1 (0.45) AKR1C3AKR1C2RPS6KB1AKR1C1
SCHEMBL2804112 0.89 KMT2A (0.44) CNR1MAPTLMNASMN1; SMN2
SCHEMBL2805746 0.86 RAB9A (0.41) TP53AKR1C3AKR1C2LMNASMN1; SMN2
SCHEMBL2802935 0.84 MAPT (0.41) MAPTAKR1C3AKR1C2RPS6KB1LMNA
SCHEMBL2486484 0.84 MEN1 (0.51) MAPTAKR1C3AKR1C2FAAHSCN9A
SCHEMBL2805569 0.84 KMT2A (0.43) TP53MAPT
SCHEMBL12316149 0.83 KMT2A (0.41) AKR1C3AKR1C2LMNASMN1; SMN2
SCHEMBL2804490 0.83 HSD11B1 (0.42) MAPTSCN9ARPS6KB1
SCHEMBL2806857 0.83 PKM (0.48) CNR1MAPTSMN1; SMN2
SCHEMBL2804811 0.82 PKM (0.44)

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 TMEM97 2305/4885SIGMAR1 3005/4885CNR1 926/4885

“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.