SCHEMBL10126825

SCHEMBL10126825

Cc1cc([N+](=O)[O-])ccc1N1CCC(N2CCCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
HTT P42858 1/20 0.49
ALDH1A1 P00352 8/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
PAX8 Q06710 2/20 0.47
RECQL P46063 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MCOLN3 Q8TDD5 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
SCHEMBL328462 0.90 WDR5 (0.49) GAAHTTALDH1A1LMNASMN1; SMN2
SCHEMBL30464731 0.90 WDR5 (0.49) GAAHTTALDH1A1LMNASMN1; SMN2
SCHEMBL1813669 0.89 MEN1 (0.58) GAAHTTALDH1A1LMNASMN1; SMN2
SCHEMBL27988443 0.89 HTT (0.46) GAAHTTALDH1A1LMNASMN1; SMN2
SCHEMBL15244456 0.88 HTT (0.46) GAAHTTALDH1A1SMN1; SMN2MEN1
SCHEMBL21280110 0.88 HTT (0.46) GAAHTTALDH1A1LMNASMN1; SMN2
SCHEMBL10036447 0.87 KMT2A (0.50) GAAHTTALDH1A1LMNASMN1; SMN2
SCHEMBL242441 0.84 GAA (0.69) GAAHTTALDH1A1LMNASMN1; SMN2
SCHEMBL6221391 0.84 GAA (0.69) GAAHTTALDH1A1LMNASMN1; SMN2
SCHEMBL10036260 0.84 HTT (0.43) GAAHTTALDH1A1LMNASMN1; SMN2

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 4 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-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-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 GAA 3821/4885HTT 3739/4885ALDH1A1 1554/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 GAA 3821/4885HTT 3739/4885ALDH1A1 1554/4885

“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.