SCHEMBL6380642

SCHEMBL6380642

CC1CCCn2nc(C(=O)O)c([N+](=O)[O-])c21

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.33
HTT P42858 4/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.31

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
SCHEMBL6381208 0.96 KMT2A (0.39) ALDH1A1KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL6381151 0.84 HPGD (0.38) ALDH1A1KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL6381885 0.73 HTT (0.39) ALDH1A1KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL6427012 0.73 ALDH1A1 (0.34) ALDH1A1HPGDSMN1; SMN2
SCHEMBL15567088 0.72 MAPT (0.38) ALDH1A1KMT2AMEN1HPGDLMNA
SCHEMBL6382528 0.71 ALDH1A1 (0.34) ALDH1A1KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL6384570 0.70 ALDH1A1 (0.36) ALDH1A1HPGDSMN1; SMN2MAPTHTT
SCHEMBL6386074 0.69 GAA (0.34)
SCHEMBL6385540 0.65 GFER (0.34)
SCHEMBL5273884 0.62 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT

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-20050107412-A1 Pharmaceutically active compounds PFIZER INC 2005-05-19 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-20050107412-A1 Pharmaceutically active compounds PDE5A, PDE2A, PDE3B ALDH1A1 720/4885KMT2A 4385/4885MEN1 2652/4885

“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.