SCHEMBL5129504

SCHEMBL5129504

CN1CCN(Cc2cc(N3CCOCC3)cc([N+](=O)[O-])c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
KCNJ1 P48048 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SIRT6 Q8N6T7 1/20 0.48
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CTSB P07858 1/20 0.43
HTT P42858 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL5132397 0.91 MAPT (0.59) ALDH1A1MAPTLMNAKCNJ1SMN1; SMN2
SCHEMBL5127223 0.89 MAPT (0.53) ALDH1A1MAPTLMNAKCNJ1SMN1; SMN2
SCHEMBL5132635 0.84 SIRT6 (0.62) ALDH1A1MAPTLMNASMN1; SMN2SIRT6
SCHEMBL5129427 0.83 ALDH1A1 (0.48) ALDH1A1MAPTLMNAKCNJ1SMN1; SMN2
SCHEMBL21275120 0.83 L3MBTL1 (0.53) ALDH1A1MAPTLMNAKCNJ1SMN1; SMN2
SCHEMBL19419599 0.80 ALDH1A1 (0.69) ALDH1A1MAPTLMNAKCNJ1SMN1; SMN2
SCHEMBL4437381 0.80 MAPT (0.45) ALDH1A1MAPTLMNAKCNJ1SMN1; SMN2
SCHEMBL18099304 0.79 MAPT (0.45) ALDH1A1MAPTLMNAKCNJ1SMN1; SMN2
SCHEMBL4434559 0.79 MAPT (0.45) ALDH1A1MAPTLMNAKCNJ1SMN1; SMN2
SCHEMBL14032704 0.79 KDM4E (0.45) ALDH1A1MAPTLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-10-02 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 (1 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-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 EPHB4, EPHB1, NME2 ALDH1A1 1143/4885MAPT 3593/4885LMNA 4146/4885

“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.