SCHEMBL4155241

SCHEMBL4155241

CCCc1nc2c[n+]([O-])c3ccccc3c2n1CCCCCCCCCCCC(=O)N(C)OC

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 7/20 0.37
PSEN2 P49810 7/20 0.37
APH1B Q8WW43 7/20 0.37
NCSTN Q92542 7/20 0.37
APH1A Q96BI3 7/20 0.37
PSENEN Q9NZ42 7/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
TLR7 Q9NYK1 3/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
FAAH O00519 2/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL4151291 1.00 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5617579 0.96 SMN1; SMN2 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4144323 0.87 FAAH (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4139564 0.86 SMN1; SMN2 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4160115 0.84 RXFP1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4148442 0.83 SMN1; SMN2 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4146569 0.83 CTNNB1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4139693 0.83 TLR7 (0.41) SMN1; SMN2RXFP1TLR7LMNATP53
SCHEMBL4153283 0.83 TLR7 (0.41) SMN1; SMN2RXFP1TLR7LMNATP53
SCHEMBL4150619 0.82 SMN1; SMN2 (0.41) SMN1; SMN2RXFP1TLR7LMNATP53

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765071-B2 Substituted imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-09-19 US disclosed
US-20160194322-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2016-07-07 US disclosed
US-9328110-B2 Substituted imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-05-03 US disclosed
EP-1687307-B1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2016-01-06 EP disclosed
US-20140194628-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-07-10 US disclosed
EP-1687307-A4 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2009-06-17 EP disclosed
US-20070072893-A1 Substituted imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY 2007-03-29 US disclosed
EP-1687307-A2 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M Innovative Properties Company (US) 2006-08-09 EP disclosed
WO-2005051317-A2 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-06-09 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 (3 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-20070072893-A1 Substituted imidazo ring systems and methods IL2, IRF3, EIF2AK2 PSEN1 4767/4885PSEN2 4794/4885APH1B 4442/4885
US-20160194322-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS IL2, IRF3, EIF2AK2 PSEN1 4733/4885PSEN2 4739/4885APH1B 4420/4885
US-20140194628-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS IL2, IRF3, EIF2AK2 PSEN1 4733/4885PSEN2 4739/4885APH1B 4420/4885

“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.