SCHEMBL10126832

SCHEMBL10126832

C[C@@H]1CN(C)[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.41
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HTR7 P34969 1/20 0.39
GAA P10253 2/20 0.39
WDR5 P61964 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
HTR1A P08908 1/20 0.38
PDE7A Q13946 1/20 0.38
HTT P42858 1/20 0.38
SLC6A9 P48067 1/20 0.37
AR P10275 1/20 0.37

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
SCHEMBL2197140 0.84 ALDH1A1 (0.48) RECQLALDH1A1LMNAKDM4EMAPT
SCHEMBL12424151 0.84 ALDH1A1 (0.48) RECQLALDH1A1LMNAKDM4EMAPT
SCHEMBL16305346 0.81 RECQL (0.41) RECQLALDH1A1LMNAKDM4EMAPT
SCHEMBL10126831 0.78 GLA (0.40) ALDH1A1MAPTGAASMN1; SMN2HTT
SCHEMBL15688102 0.78 ALDH1A1 (0.40) ALDH1A1LMNAKDM4EMAPTPDE7A
SCHEMBL10155952 0.78 CDK4 (0.34) ALDH1A1HTTAR
SCHEMBL993768 0.76 HTT (0.64) RECQLALDH1A1LMNAKDM4EGAA
SCHEMBL993767 0.76 HTT (0.64) RECQLALDH1A1LMNAKDM4EGAA
SCHEMBL853678 0.76 CCNA2 (0.58) ALDH1A1LMNAKDM4EGAAWDR5
SCHEMBL15320877 0.76 LMNA (0.47) RECQLALDH1A1LMNAMAPTHTR7

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 5 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-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 RECQL 4210/4885ALDH1A1 1554/4885LMNA 2845/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 RECQL 4210/4885ALDH1A1 1554/4885LMNA 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.