SCHEMBL4153678

SCHEMBL4153678

CCCc1nc2c[n+]([O-])c3ccccc3c2n1CC(OCC)OCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.36
MAPT P10636 3/20 0.36
TLR7 Q9NYK1 3/20 0.36
SMN1; SMN2 Q16637 5/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
BLM P54132 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
USP2 O75604 2/20 0.33
TSHR P16473 2/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 2/20 0.32
HSP90AB1 P08238 1/20 0.32

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
SCHEMBL4151275 0.91 SMN1; SMN2 (0.39) LMNAMAPTTLR7SMN1; SMN2HPGD
SCHEMBL5654375 0.82 LMNA (0.40) LMNAMAPTTLR7SMN1; SMN2HPGD
SCHEMBL4155789 0.79 KMT2A (0.42) LMNAMAPTSMN1; SMN2HPGDKDM4E
SCHEMBL4152224 0.78 TLR7 (0.41) LMNAMAPTTLR7SMN1; SMN2HPGD
SCHEMBL4146569 0.78 CTNNB1 (0.48) LMNASMN1; SMN2HPGDKDM4EMEN1
SCHEMBL4144323 0.76 FAAH (0.46) LMNATLR7SMN1; SMN2HPGDKDM4E
SCHEMBL1896802 0.76 TLR8 (0.38) LMNAMAPTTLR7SMN1; SMN2HPGD
SCHEMBL10587340 0.75 TLR7 (0.43) LMNATLR7SMN1; SMN2KDM4EMEN1
SCHEMBL5617579 0.75 SMN1; SMN2 (0.37) TLR7SMN1; SMN2MEN1KMT2ABLM
SCHEMBL4139564 0.74 SMN1; SMN2 (0.40) LMNATLR7SMN1; SMN2GAA

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 LMNA 3973/4885MAPT 4775/4885TLR7 162/4885
US-20160194322-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS IL2, IRF3, EIF2AK2 LMNA 4021/4885MAPT 4429/4885TLR7 155/4885
US-20140194628-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS IL2, IRF3, EIF2AK2 LMNA 4021/4885MAPT 4429/4885TLR7 155/4885

“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.