Sugi Predict

Sugi Predict / Compounds / SCHEMBL310323

SCHEMBL310323

SCHEMBL310323

CCOc1cc(N2CCC(CCS(C)(=O)=O)CC2)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.42
▸ MAPT P10636 7/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ GPR174 Q9BXC1 4/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HTT P42858 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ EGFR P00533 1/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ IGF1R P08069 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL310309 0.90 LMNA (0.42) LMNAMAPTALDH1A1GPR174SMN1; SMN2
SCHEMBL310540 0.90 ALDH1A1 (0.43) LMNAMAPTALDH1A1GPR174SMN1; SMN2
SCHEMBL310526 0.84 EGFR (0.39) LMNAMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL309838 0.83 MAPT (0.43) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL14406617 0.83 ALDH1A1 (0.42) MAPTALDH1A1GPR174SMN1; SMN2MEN1
SCHEMBL310912 0.80 SMN1; SMN2 (0.39) LMNAMAPTALDH1A1GPR174SMN1; SMN2
SCHEMBL26778765 0.77 MAPT (0.43) LMNAMAPTALDH1A1GPR174SMN1; SMN2
SCHEMBL310907 0.75 IGF1R (0.39) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL310850 0.75 ALDH1A1 (0.46) LMNAMAPTALDH1A1GPR174SMN1; SMN2
SCHEMBL14406679 0.75 ALDH1A1 (0.46) LMNAMAPTALDH1A1GPR174SMN1; 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
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-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
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 (2 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 LMNA 2828/4885MAPT 2367/4885ALDH1A1 3410/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 LMNA 2828/4885MAPT 2367/4885ALDH1A1 3410/4885

“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.