SCHEMBL26100484

SCHEMBL26100484

CC1CCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
HRH3 Q9Y5N1 2/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KCNJ1 P48048 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GBA1 P04062 1/20 0.41
KCNH2 Q12809 1/20 0.41
PARL Q9H300 1/20 0.41
ACHE P22303 2/20 0.41
BCHE P06276 1/20 0.41
BACE1 P56817 1/20 0.41

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
SCHEMBL18816394 0.81 PER2 (0.43) SMN1; SMN2
SCHEMBL12209503 0.80 HTT (0.52) POLBALDH1A1MAPTSMN1; SMN2
SCHEMBL26100981 0.80 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2
SCHEMBL26102230 0.78 TDP1 (0.48) TDP1HRH3KDM4EALDH1A1KCNJ1
SCHEMBL23747370 0.78 POLB (0.50) HRH3POLBKDM4EALDH1A1KCNJ1
SCHEMBL26548342 0.77 TDP1 (0.47) TDP1HRH3SIRT2SIRT1POLB
SCHEMBL4572872 0.76 L3MBTL1 (0.58) HRH3KDM4EALDH1A1KCNJ1LMNA
SCHEMBL5625428 0.76 L3MBTL1 (0.62) HRH3KDM4EALDH1A1KCNJ1LMNA
SCHEMBL23747401 0.75 HRH3 (0.48) HRH3KDM4EALDH1A1KCNJ1LMNA
SCHEMBL27784071 0.74 L3MBTL1 (0.65) HRH3KDM4EALDH1A1KCNJ1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US disclosed
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US disclosed
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 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-20230133132-A1 NAMPT MODULATORS NAMPT, MC4R, SIRT1 TDP1 4486/4885HRH3 647/4885SIRT2 4/4885

“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.