SCHEMBL282589

SCHEMBL282589

CN1CCN(c2ccc([N+](=O)[O-])cc2-c2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.62
LMNA P02545 5/20 0.62
GAA P10253 2/20 0.62
WDR5 P61964 5/20 0.59
KMT2A Q03164 3/20 0.59
POLB P06746 2/20 0.59
HTT P42858 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C19 P33261 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
SIRT6 Q8N6T7 1/20 0.52
CYP2D6 P10635 2/20 0.52
MEN1 O00255 2/20 0.51
CYP2C9 P11712 1/20 0.51
MAPT P10636 2/20 0.50
HTR7 P34969 1/20 0.50

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
SCHEMBL6573228 0.89 GAA (0.61) ALDH1A1LMNAGAAKMT2APOLB
SCHEMBL328301 0.84 HTR7 (0.71) ALDH1A1LMNAGAAKMT2APOLB
SCHEMBL6829341 0.84 ALDH1A1 (0.54) ALDH1A1LMNAGAAWDR5KMT2A
SCHEMBL26092046 0.82 ALDH1A1 (0.49) ALDH1A1LMNAGAAWDR5KMT2A
SCHEMBL30346122 0.82 ALDH1A1 (0.49) ALDH1A1LMNAGAAWDR5KMT2A
SCHEMBL28504649 0.82 HTT (0.50) ALDH1A1LMNAGAAWDR5KMT2A
SCHEMBL25405568 0.80 LMNA (0.63) ALDH1A1LMNAGAAKMT2APOLB
SCHEMBL31121057 0.80 LMNA (0.63) ALDH1A1LMNAGAAKMT2APOLB
SCHEMBL29890986 0.79 ALDH1A1 (0.54) ALDH1A1LMNAGAAWDR5KMT2A
SCHEMBL3313887 0.79 GAA (0.72) ALDH1A1LMNAGAAKMT2APOLB

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 17 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
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-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-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
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
CN-102421761-B Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC 2014-06-18 CN disclosed
CN-102421761-A Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC 2012-04-18 CN 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
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 US 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 1554/4885LMNA 2845/4885GAA 3821/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 ALDH1A1 1554/4885LMNA 2845/4885GAA 3821/4885

“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.