SCHEMBL4139564

SCHEMBL4139564

CCCc1nc2c[n+]([O-])c3ccccc3c2n1CCCCCC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
RECQL P46063 1/20 0.37
PSEN1 P49768 4/20 0.37
PSEN2 P49810 4/20 0.37
APH1B Q8WW43 4/20 0.37
NCSTN Q92542 4/20 0.37
APH1A Q96BI3 4/20 0.37
PSENEN Q9NZ42 4/20 0.37
FABP4 P15090 1/20 0.37
FABP5 Q01469 1/20 0.37
BRD4 O60885 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
TLR7 Q9NYK1 2/20 0.36
TLR8 Q9NR97 1/20 0.36

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
SCHEMBL4165388 0.91 CNR1 (0.43) SMN1; SMN2LMNATP53RECQLGAA
SCHEMBL4160115 0.89 RXFP1 (0.41) SMN1; SMN2LMNATP53PSEN1PSEN2
SCHEMBL4144323 0.89 FAAH (0.46) SMN1; SMN2LMNAPSEN1PSEN2APH1B
SCHEMBL4148442 0.89 SMN1; SMN2 (0.42) SMN1; SMN2LMNATP53RECQLPSEN1
SCHEMBL4155241 0.86 PSEN1 (0.37) SMN1; SMN2LMNATP53PSEN1PSEN2
SCHEMBL4151291 0.86 PSEN1 (0.37) SMN1; SMN2LMNATP53PSEN1PSEN2
SCHEMBL5617479 0.85 SMN1; SMN2 (0.37) SMN1; SMN2LMNATP53RECQLFABP4
SCHEMBL4146569 0.85 CTNNB1 (0.48) SMN1; SMN2LMNAPSEN1PSEN2APH1B
SCHEMBL5617629 0.85 TLR7 (0.42) SMN1; SMN2LMNATP53TLR7TLR8
SCHEMBL4155789 0.83 KMT2A (0.42) SMN1; SMN2LMNAHTT

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 SMN1; SMN2 3448/4885LMNA 3973/4885TP53 190/4885
US-20160194322-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS IL2, IRF3, EIF2AK2 SMN1; SMN2 3376/4885LMNA 4021/4885TP53 142/4885
US-20140194628-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS IL2, IRF3, EIF2AK2 SMN1; SMN2 3376/4885LMNA 4021/4885TP53 142/4885

“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.