SCHEMBL283237

SCHEMBL283237

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
KMT2A Q03164 2/20 0.60
LMNA P02545 6/20 0.56
MAPT P10636 4/20 0.56
MAPK1 P28482 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HTT P42858 2/20 0.53
TDP1 Q9NUW8 2/20 0.50
HTR6 P50406 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
SLC6A5 Q9Y345 1/20 0.45
HTR1A P08908 1/20 0.45

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
SCHEMBL15725834 0.89 ALDH1A1 (0.64) ALDH1A1KMT2ALMNAMAPTMAPK1
SCHEMBL4865184 0.84 HTR6 (0.62) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL1613091 0.83 HTR6 (0.66) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL520263 0.83 SLC6A5 (0.61) ALDH1A1KMT2ALMNAMAPTMAPK1
SCHEMBL29833031 0.83 SLC6A5 (0.61) ALDH1A1KMT2ALMNAMAPTMAPK1
SCHEMBL6982016 0.83 LMNA (0.56) ALDH1A1KMT2ALMNAMAPTMAPK1
SCHEMBL8715563 0.82 HTR6 (0.65) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL3258618 0.82 HTR6 (0.65) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL328460 0.81 ALDH1A1 (0.65) ALDH1A1KMT2ALMNAMAPTMAPK1
SCHEMBL21644501 0.81 ALDH1A1 (0.54) ALDH1A1KMT2ALMNAMAPTMAPK1

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-3009428-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2016-04-20 EP 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-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 ALDH1A1 1554/4885KMT2A 103/4885LMNA 2845/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 ALDH1A1 1554/4885KMT2A 103/4885LMNA 2845/4885

“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.