SCHEMBL310249

SCHEMBL310249

COc1cc(N2CCC(N3CCN(C(=O)OCc4ccccc4)CC3)CC2)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 2/20 0.46
ALOX12 P18054 1/20 0.46
TMEM97 Q5BJF2 6/20 0.46
SIGMAR1 Q99720 6/20 0.46
POLB P06746 1/20 0.46
GPR174 Q9BXC1 1/20 0.45
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
ALDH1A1 P00352 6/20 0.44
MAPT P10636 4/20 0.44
HTR1A P08908 2/20 0.44
HRH2 P25021 2/20 0.44
HRH1 P35367 2/20 0.44
HRH3 Q9Y5N1 2/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA1D P25100 1/20 0.44

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
SCHEMBL310278 0.91 TMEM97 (0.46) SMN1; SMN2TMEM97SIGMAR1GPR174CHRM2
SCHEMBL25306620 0.88 POLB (0.50) SMN1; SMN2GAAPOLBGPR174ALDH1A1
SCHEMBL520097 0.86 MAPT (0.54) TMEM97SIGMAR1CHRM2CHRM1ALDH1A1
SCHEMBL25260366 0.86 SMN1; SMN2 (0.49) SMN1; SMN2GAAALOX12TMEM97SIGMAR1
SCHEMBL25260681 0.85 POLB (0.50) SMN1; SMN2GAAPOLBGPR174ALDH1A1
SCHEMBL25338911 0.83 MAPT (0.43) SMN1; SMN2GAAALOX12GPR174ALDH1A1
SCHEMBL28795202 0.81 SMN1; SMN2 (0.45) SMN1; SMN2GAAALOX12GPR174ALDH1A1
SCHEMBL28795204 0.79 SMN1; SMN2 (0.47) SMN1; SMN2GAAALOX12POLBGPR174
SCHEMBL517392 0.79 SIRT6 (0.49) SMN1; SMN2POLBALDH1A1MAPTHTT
SCHEMBL10207319 0.78 ALDH1A1 (0.47) SMN1; SMN2GAAALDH1A1MAPTKDM4E

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322723-A1 COMPOUNDS FOR SUPPRESSING EGFR MUTANT CANCER AND PHARMACEUTICAL USE THEREOF J2H BIOTECH INC. (KR) 2023-10-12 US disclosed
US-20230322723-A1 COMPOUNDS FOR SUPPRESSING EGFR MUTANT CANCER AND PHARMACEUTICAL USE THEREOF J2H BIOTECH INC. (KR) 2023-10-12 US disclosed
CN-116490184-A Compounds for inhibiting EGFR mutant cancers and pharmaceutical uses thereof J2H生物科技有限公司 2023-07-25 CN disclosed
EP-4212522-A1 COMPOUNDS FOR SUPPRESSING EGFR MUTANT CANCER AND PHARMACEUTICAL USE THEREOF J2H Biotech Inc. (KR) 2023-07-19 EP disclosed
EP-2162454-B1 IMIDAZOPYRIDINE KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-01-02 EP disclosed
EP-2162454-B1 IMIDAZOPYRIDINE KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-01-02 EP disclosed
US-8093239-B2 Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-01-10 US disclosed
US-8093239-B2 Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-01-10 US disclosed
US-8093239-B2 Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-01-10 US disclosed
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 US disclosed
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 US disclosed
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 US disclosed
EP-2162454-A1 IMIDAZOPYRIDINE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-03-17 EP disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 US 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-20080300242-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 SMN1; SMN2 2982/4885GAA 1644/4885ALOX12 4861/4885
US-20230322723-A1 COMPOUNDS FOR SUPPRESSING EGFR MUTANT CANCER AND PHARMACEUTICAL USE THEREOF EGFR, KRAS, ERBB2 SMN1; SMN2 4518/4885GAA 1018/4885ALOX12 4639/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 SMN1; SMN2 2982/4885GAA 1644/4885ALOX12 4861/4885

“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.