SCHEMBL23747401

SCHEMBL23747401

CC1CCN(Cc2ccc([N+](=O)[O-])cc2)C1=O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 3/20 0.47
KCNJ1 P48048 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TRPV6 Q9H1D0 1/20 0.45
GBA1 P04062 1/20 0.45
HTT P42858 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL26100782 0.92 HRH3 (0.52) HRH3KDM4EALDH1A1KCNJ1LMNA
SCHEMBL1937098 0.84 KMT2A (0.53) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL7215932 0.83 KDM4E (0.48) HRH3KDM4EALDH1A1KCNJ1LMNA
SCHEMBL8562701 0.83 KDM4E (0.51) HRH3KDM4EALDH1A1KCNJ1LMNA
SCHEMBL8562698 0.83 KDM4E (0.51) HRH3KDM4EALDH1A1KCNJ1LMNA
SCHEMBL7215935 0.83 KDM4E (0.48) HRH3KDM4EALDH1A1KCNJ1LMNA
Hydrochloric Acid SCHEMBL7214378 0.82 KDM4E (0.47) HRH3KDM4EALDH1A1KCNJ1LMNA
Hydrochloric Acid SCHEMBL7214381 0.82 KDM4E (0.47) HRH3KDM4EALDH1A1KCNJ1LMNA
SCHEMBL26548350 0.81 HRH3 (0.46) HRH3KDM4EALDH1A1KCNJ1LMNA
SCHEMBL26102230 0.81 TDP1 (0.48) 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 5 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
CN-115515934-A NAMPT modulators 赛特凯恩蒂克公司 2022-12-23 CN disclosed
WO-2021159015-A1 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-08-12 WO 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 HRH3 647/4885KDM4E 2721/4885ALDH1A1 2019/4885

“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.