SCHEMBL23747607

SCHEMBL23747607

O=C1CNCCN1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 3/20 0.54
KCNH2 Q12809 2/20 0.54
KDM4E B2RXH2 2/20 0.49
ADRB1 P08588 1/20 0.49
SIRT6 Q8N6T7 1/20 0.49
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
DPP4 P27487 1/20 0.46
HRH3 Q9Y5N1 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 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
Hydrochloric Acid SCHEMBL23728167 0.99 KCNJ1 (0.52) KCNJ1KCNH2KDM4EADRB1SIRT6
SCHEMBL14893955 0.87 KCNJ1 (0.64) KCNJ1KCNH2ADRB1SIRT6HRH3
Hydrochloric Acid SCHEMBL14894292 0.86 KCNJ1 (0.63) KCNJ1KCNH2ADRB1SIRT6HRH3
SCHEMBL29283174 0.80 ALDH1A1 (0.61) KCNJ1KCNH2KDM4EALDH1A1LMNA
SCHEMBL4692001 0.80 MEN1 (0.47) KCNH2KDM4EADRB1ALDH1A1MAPT
SCHEMBL4572872 0.79 L3MBTL1 (0.58) KCNJ1KCNH2KDM4EALDH1A1LMNA
SCHEMBL5625428 0.79 L3MBTL1 (0.62) KCNJ1KCNH2KDM4EALDH1A1LMNA
SCHEMBL24648953 0.78 MGLL (0.43) KCNH2ALDH1A1SMN1; SMN2HRH3
SCHEMBL25271016 0.78 ALDH1A1 (0.42) KDM4EALDH1A1LMNASMN1; SMN2HRH3
SCHEMBL14863940 0.78 HTR2C (0.43) ALDH1A1MAPTSMN1; SMN2DPP4HRH3

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
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 KCNJ1 2939/4885KCNH2 3282/4885KDM4E 2721/4885

“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.