SCHEMBL282269

SCHEMBL282269

COc1ccc([N+](=O)[O-])cc1N1CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.52
ALDH1A1 P00352 7/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 3/20 0.49
MAPT P10636 3/20 0.49
MAPK1 P28482 2/20 0.49
DRD2 P14416 3/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.46
HTR2A P28223 2/20 0.46
WDR5 P61964 1/20 0.46
HTR1A P08908 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
SIRT6 Q8N6T7 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL10036436 0.91 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL30306155 0.91 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL4865184 0.88 HTR6 (0.62) HTR6ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL16305338 0.86 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL10127825 0.84 KMT2A (0.47) ALDH1A1SMN1; SMN2LMNAWDR5SIRT6
SCHEMBL26426465 0.82 SIRT6 (0.51) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL328462 0.82 WDR5 (0.49) ALDH1A1SMN1; SMN2LMNAWDR5SIRT6
SCHEMBL30464731 0.82 WDR5 (0.49) ALDH1A1SMN1; SMN2LMNAWDR5SIRT6
SCHEMBL30464729 0.82 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL10036442 0.82 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
EP-2428508-B9 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2016-04-20 EP disclosed
EP-3009428-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2016-04-20 EP disclosed
EP-3009428-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2016-04-20 EP disclosed
EP-2428508-B1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2015-12-16 EP disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
EP-2428508-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2012-03-14 EP disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 US disclosed
WO-2010128659-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND アステラス製薬株式会社 (JP) 2010-11-11 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-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 HTR6 4042/4885ALDH1A1 1554/4885SMN1; SMN2 4467/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 HTR6 4042/4885ALDH1A1 1554/4885SMN1; SMN2 4467/4885

“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.