Sugi Predict

Sugi Predict / Compounds / SCHEMBL310861

SCHEMBL310861

SCHEMBL310861

COc1cc(N2CCC(N3CCNCC3)CC2)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.42
▸ HTR6 P50406 1/20 0.41
▸ MAPT P10636 6/20 0.40
▸ LMNA P02545 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ HTR3E A5X5Y0 1/20 0.39
▸ HTR3B O95264 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ HTR3D Q70Z44 1/20 0.39
▸ HTR3C Q8WXA8 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ SIRT6 Q8N6T7 1/20 0.38
▸ KDM4E B2RXH2 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
SCHEMBL28795166 0.94 ALDH1A1 (0.41) ALDH1A1HTR6MAPTLMNAGAA
SCHEMBL29803033 0.94 ALDH1A1 (0.41) ALDH1A1HTR6MAPTLMNAGAA
SCHEMBL28795421 0.91 ALDH1A1 (0.41) ALDH1A1HTR6MAPTLMNAGAA
SCHEMBL29803053 0.91 ALDH1A1 (0.41) ALDH1A1HTR6MAPTLMNAGAA
SCHEMBL28795201 0.90 ALDH1A1 (0.41) ALDH1A1MAPTLMNAGAAMAPK1
SCHEMBL10207319 0.90 ALDH1A1 (0.47) ALDH1A1MAPTLMNAGAAMAPK1
SCHEMBL28795309 0.89 ALDH1A1 (0.41) ALDH1A1MAPTLMNAGAAMAPK1
SCHEMBL3132472 0.89 SMN1; SMN2 (0.47) ALDH1A1MAPTLMNAGAAMAPK1
SCHEMBL2203183 0.88 MAPT (0.50) ALDH1A1HTR6MAPTLMNAGAA
SCHEMBL310188 0.88 MAPT (0.43) ALDH1A1HTR6MAPTLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805303-A Molecule with double functions of degrading EGFR (epidermal growth factor receptor), composition and pharmaceutical application thereof 海思科医药集团股份有限公司 2022-07-29 — — CN 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-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

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 ALDH1A1 3410/4885HTR6 2462/4885MAPT 2367/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 ALDH1A1 3410/4885HTR6 2462/4885MAPT 2367/4885

“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.