SCHEMBL2820845

SCHEMBL2820845

COc1cc(N2CCC(N3CCN(C)CC3)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 3/20 0.59
LMNA P02545 2/20 0.59
MAPT P10636 5/20 0.57
HTR6 P50406 4/20 0.52
PLK1 P53350 1/20 0.48
EGFR P00533 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 1/20 0.42
ACVR1 Q04771 1/20 0.42

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
SCHEMBL519153 0.94 SIRT6 (0.67) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL375616 0.93 SIRT6 (0.77) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL2062143 0.89 SIRT6 (0.77) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL15754980 0.88 LMNA (0.64) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL23534178 0.86 SIRT6 (0.65) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL29709935 0.86 SIRT6 (0.65) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL520231 0.84 ALDH1A1 (0.76) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL520015 0.83 SIRT6 (1.00) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL311491 0.83 ALDH1A1 (0.74) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL519977 0.82 ALDH1A1 (0.60) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130096100-A1 DI(ARYLAMINO)ARYL COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-18 US disclosed
US-20130096100-A1 DI(ARYLAMINO)ARYL COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-18 US disclosed
US-8318702-B2 Di(arylamino)aryl compounds ASTELLAS PHARMA INC. (JP) 2012-11-27 US disclosed
US-8318702-B2 Di(arylamino)aryl compounds ASTELLAS PHARMA INC. (JP) 2012-11-27 US disclosed
US-20100099658-A1 DI(ARYLAMINO)ARYL COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-22 US disclosed
US-20100099658-A1 DI(ARYLAMINO)ARYL COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-22 US disclosed
EP-2172461-A1 DI(ARYLAMINO)ARYL COMPOUND Astellas Pharma Inc. (JP) 2010-04-07 EP disclosed
EP-2172461-A1 DI(ARYLAMINO)ARYL COMPOUND Astellas Pharma Inc. (JP) 2010-04-07 EP 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-20130096100-A1 DI(ARYLAMINO)ARYL COMPOUND ERBB4, EGFR, ALK SIRT6 4245/4885ALDH1A1 3512/4885LMNA 2407/4885
US-20100099658-A1 DI(ARYLAMINO)ARYL COMPOUND ERBB4, EGFR, ALK SIRT6 4245/4885ALDH1A1 3512/4885LMNA 2407/4885

“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.