SCHEMBL4011205

SCHEMBL4011205

CCOC(CNc1c([N+](=O)[O-])cnc2ccccc12)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PKM P14618 1/20 0.40
MAPT P10636 6/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
MAPK1 P28482 2/20 0.39
RAB9A P51151 2/20 0.39
ATM Q13315 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRM3 P20309 1/20 0.38
MAOA P21397 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ADORA2A P29274 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38

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
SCHEMBL4005098 0.89 MEN1 (0.43) MEN1KMT2APKMMAPTSMN1; SMN2
SCHEMBL22774121 0.85 KMT2A (0.37) MEN1KMT2APKMMAPTSMN1; SMN2
SCHEMBL4726732 0.84 MAPT (0.45) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL9836946 0.82 KMT2A (0.46) MEN1KMT2APKMMAPTSMN1; SMN2
SCHEMBL10448993 0.82 MAPT (0.41) MEN1KMT2APKMMAPTSMN1; SMN2
SCHEMBL8120703 0.82 MAPT (0.54) MEN1KMT2APKMMAPTSMN1; SMN2
SCHEMBL27365630 0.80 ALDH1A1 (0.41) MEN1KMT2APKMMAPTSMN1; SMN2
SCHEMBL1949343 0.78 MEN1 (0.42) MEN1KMT2APKMMAPTSMN1; SMN2
SCHEMBL15923304 0.78 MAPT (0.40) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL6718844 0.78 MAPT (0.50) MEN1KMT2APKMMAPTSMN1; 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 10 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
CN-1926138-A Substituted imidazole ring systems and methods 3M INNOVATIVE PROPERTIES CO (US) 2007-03-07 CN 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 MEN1 3421/4885KMT2A 4263/4885PKM 3243/4885
US-20160194322-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS IL2, IRF3, EIF2AK2 MEN1 3724/4885KMT2A 3717/4885PKM 3631/4885
US-20140194628-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS IL2, IRF3, EIF2AK2 MEN1 3724/4885KMT2A 3717/4885PKM 3631/4885

“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.