SCHEMBL4155789

SCHEMBL4155789

CCCc1nc2c[n+]([O-])c3ccccc3c2n1CCC(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
BLM P54132 1/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
CTNNB1 P35222 1/20 0.41
CNR2 P34972 2/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 2/20 0.39
TOP2A P11388 2/20 0.39
TNF P01375 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
HTT P42858 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
SCHEMBL4146569 0.94 CTNNB1 (0.48) KMT2AMEN1SMN1; SMN2BLMALDH1A1
SCHEMBL4144323 0.92 FAAH (0.46) KMT2AMEN1SMN1; SMN2BLMALDH1A1
SCHEMBL4139564 0.83 SMN1; SMN2 (0.40) SMN1; SMN2LMNAHTT
SCHEMBL5617579 0.83 SMN1; SMN2 (0.37) KMT2AMEN1SMN1; SMN2BLMCTNNB1
SCHEMBL2897450 0.82 TLR7 (0.43) SMN1; SMN2ALDH1A1KDM4ECTNNB1CNR2
SCHEMBL4148442 0.82 SMN1; SMN2 (0.42) SMN1; SMN2HPGDCNR2LMNAHTT
SCHEMBL4151291 0.81 PSEN1 (0.37) KMT2AMEN1SMN1; SMN2BLMCNR2
SCHEMBL4155241 0.81 PSEN1 (0.37) KMT2AMEN1SMN1; SMN2BLMCNR2
SCHEMBL4143705 0.81 SMN1; SMN2 (0.44) KMT2AMEN1SMN1; SMN2BLMALDH1A1
SCHEMBL5617479 0.81 SMN1; SMN2 (0.37) KMT2AMEN1SMN1; SMN2BLMALDH1A1

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 KMT2A 4263/4885MEN1 3421/4885SMN1; SMN2 3448/4885
US-20160194322-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS IL2, IRF3, EIF2AK2 KMT2A 3717/4885MEN1 3724/4885SMN1; SMN2 3376/4885
US-20140194628-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS IL2, IRF3, EIF2AK2 KMT2A 3717/4885MEN1 3724/4885SMN1; SMN2 3376/4885

“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.