SCHEMBL7045545

SCHEMBL7045545

O=C(O)N1CCN(c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
PDE7A Q13946 2/20 0.55
PDE7B Q9NP56 1/20 0.55
MAPT P10636 11/20 0.54
FAAH O00519 1/20 0.51
MGLL Q99685 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 5/20 0.49
HTT P42858 3/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.46
RECQL P46063 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 1/20 0.43
BCL2L1 Q07817 1/20 0.43

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
SCHEMBL7045540 1.00 MEN1 (0.56) MEN1KMT2APDE7APDE7BMAPT
SCHEMBL6744948 0.86 MAPT (0.59) MEN1KMT2APDE7APDE7BMAPT
SCHEMBL21571668 0.84 FAAH (0.48) MEN1KMT2AMAPTFAAHMGLL
SCHEMBL6747346 0.83 ALDH1A1 (0.57) MEN1KMT2APDE7APDE7BMAPT
SCHEMBL16262194 0.81 SIRT6 (0.54) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL16262196 0.81 SIRT6 (0.54) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL7046342 0.80 SMN1; SMN2 (0.43) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL16262847 0.77 LMNA (0.54) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL16262843 0.77 LMNA (0.54) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL20339055 0.77 MAPT (0.48) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1

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-20030207866-A1 Drugs useful for the treatment of diseases or disorders of the central nervous system. PHARMACIA & UPJOHN COMPANY 2003-11-06 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-20030207866-A1 Drugs useful for the treatment of diseases or disorders of the central nervous system. PMP22, NLN, INA MEN1 403/4885KMT2A 3767/4885PDE7A 818/4885

“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.