SCHEMBL26548346

SCHEMBL26548346

CC1CN(C)CC(=O)N1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
KCNJ1 P48048 3/20 0.46
KCNH2 Q12809 2/20 0.46
HRH3 Q9Y5N1 2/20 0.45
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP19A1 P11511 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GBA1 P04062 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL26548264 0.81 LMNA (0.44) ALDH1A1CYP19A1LMNAGBA1CA12
SCHEMBL23747370 0.80 POLB (0.50) POLBKCNJ1KCNH2HRH3CYP2C9
SCHEMBL26102489 0.77 HRH3 (0.52) POLBKCNJ1KCNH2HRH3KDM4E
SCHEMBL26133849 0.77 ALDH1A1 (0.49) POLBALDH1A1LMNAMAPTTDP1
SCHEMBL26548342 0.76 TDP1 (0.47) POLBKCNJ1KCNH2HRH3KDM4E
SCHEMBL30361428 0.76 KCNJ1 (0.61) KCNJ1KCNH2HRH3KDM4EALDH1A1
SCHEMBL19231676 0.74 POLB (0.46) POLBKCNJ1KCNH2HRH3CYP2C9
SCHEMBL20578262 0.74 POLB (0.46) POLBKCNJ1KCNH2HRH3CYP2C9
SCHEMBL23728268 0.74 KDM4E (0.48) POLBKCNJ1KCNH2HRH3KDM4E
SCHEMBL12359560 0.73 KMT2A (0.50) KDM4EALDH1A1LMNAMAPTSMN1; SMN2

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 2 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

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 POLB 4018/4885KCNJ1 2939/4885KCNH2 3282/4885

“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.