SCHEMBL2825311

SCHEMBL2825311

Cc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.61
SIRT6 Q8N6T7 7/20 0.55
MAPT P10636 2/20 0.55
ALDH1A1 P00352 1/20 0.52
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HTR6 P50406 4/20 0.49
ALOX12 P18054 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL23124217 0.90 SIRT6 (0.58) HPGDSIRT6MAPTALDH1A1MAPK1
SCHEMBL22652220 0.90 HPGD (0.68) HPGDSIRT6MAPTALDH1A1MAPK1
SCHEMBL170932 0.87 HPGD (0.75) HPGDSIRT6MAPTALDH1A1MAPK1
SCHEMBL13395270 0.86 SIRT6 (0.54) SIRT6MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL29173187 0.84 SIRT6 (0.52) SIRT6MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL375616 0.84 SIRT6 (0.77) SIRT6MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL27913615 0.82 HPGD (0.65) HPGDMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL2825492 0.82 MAPT (0.67) SIRT6MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL14866270 0.82 SIRT6 (0.59) SIRT6MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL29287538 0.81 HPGD (0.71) HPGDSIRT6MAPTALDH1A1MAPK1

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
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
CN-101687822-B Di(arylamino)aryl compound ASTELLAS PHARMA INC 2012-11-07 CN 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
CN-101687822-A Di(arylamino)aryl compound ASTELLAS PHARMA INC 2010-03-31 CN 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 HPGD 4872/4885SIRT6 4245/4885MAPT 3344/4885
US-20100099658-A1 DI(ARYLAMINO)ARYL COMPOUND ERBB4, EGFR, ALK HPGD 4872/4885SIRT6 4245/4885MAPT 3344/4885

“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.