SCHEMBL17197285

SCHEMBL17197285

COc1cc(N2CC3(CN(C)C3)C2)ccc1[N+](=O)[O-]

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 5/20 0.70
ALDH1A1 P00352 4/20 0.65
LMNA P02545 2/20 0.65
MAPT P10636 5/20 0.53
HTR6 P50406 3/20 0.50
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CHEK1 O14757 2/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL17410978 0.90 SIRT6 (0.74) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL17197439 0.86 ALDH1A1 (0.64) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL17197339 0.85 ALDH1A1 (0.60) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL31498851 0.84 ALDH1A1 (0.61) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL17411235 0.83 SIRT6 (0.81) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL520015 0.82 SIRT6 (1.00) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL17197284 0.81 LMNA (0.54) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL30497528 0.81 LMNA (0.54) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL29267646 0.80 LMNA (0.76) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL31498866 0.80 LMNA (0.56) SIRT6ALDH1A1LMNAMAPTHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10300058-B2 Tyrosine kinase inhibitor and uses thereof Xuanzhu Pharma Co., Ltd. (CN) 2019-05-28 US disclosed
US-10300058-B2 Tyrosine kinase inhibitor and uses thereof Xuanzhu Pharma Co., Ltd. (CN) 2019-05-28 US disclosed
US-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-04-27 US disclosed
US-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-04-27 US disclosed
US-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-04-27 US disclosed
WO-2015158310-A1 TYROSINE KINASE INHIBITOR AND USES THEREOF 山东轩竹医药科技有限公司 2015-10-22 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 (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-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof EGFR, ERBB2, ABL1 SIRT6 3491/4885ALDH1A1 2257/4885LMNA 4110/4885
US-10300058-B2 Tyrosine kinase inhibitor and uses thereof EGFR, ERBB2, ABL1 SIRT6 3491/4885ALDH1A1 2257/4885LMNA 4110/4885

“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.