SCHEMBL4146569

SCHEMBL4146569

CCCc1nc2c[n+]([O-])c3ccccc3c2n1CCCC(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.48
TNF P01375 5/20 0.47
GAA P10253 1/20 0.42
TOP2A P11388 1/20 0.41
FAAH O00519 2/20 0.41
MEN1 O00255 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
LMNA P02545 1/20 0.39
CNR1 P21554 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39

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
SCHEMBL4144323 0.96 FAAH (0.46) CTNNB1TNFGAATOP2AFAAH
SCHEMBL4155789 0.94 KMT2A (0.42) CTNNB1TNFTOP2AMEN1BLM
SCHEMBL5617579 0.87 SMN1; SMN2 (0.37) CTNNB1TNFGAAMEN1BLM
SCHEMBL2897450 0.87 TLR7 (0.43) CTNNB1GAATOP2ASMN1; SMN2KDM4E
SCHEMBL4148442 0.86 SMN1; SMN2 (0.42) GAASMN1; SMN2HPGDLMNACNR1
SCHEMBL4139564 0.85 SMN1; SMN2 (0.40) GAASMN1; SMN2LMNAPSEN1PSEN2
SCHEMBL5617479 0.85 SMN1; SMN2 (0.37) GAAMEN1BLMKMT2ASMN1; SMN2
SCHEMBL4165388 0.84 CNR1 (0.43) GAASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL4155241 0.83 PSEN1 (0.37) FAAHMEN1BLMKMT2ASMN1; SMN2
SCHEMBL4151291 0.83 PSEN1 (0.37) FAAHMEN1BLMKMT2ASMN1; SMN2

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 CTNNB1 4830/4885TNF 39/4885GAA 2739/4885
US-20160194322-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS IL2, IRF3, EIF2AK2 CTNNB1 4726/4885TNF 50/4885GAA 2169/4885
US-20140194628-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS IL2, IRF3, EIF2AK2 CTNNB1 4726/4885TNF 50/4885GAA 2169/4885

“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.