SCHEMBL13543760

SCHEMBL13543760

CNC(=O)c1n[nH]cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
LMNA P02545 2/20 0.38
YTHDC1 Q96MU7 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.36
ALDH1A1 P00352 4/20 0.36
KCNMA1 Q12791 2/20 0.35
POLB P06746 2/20 0.35
GALR2 O43603 1/20 0.35
HCAR3 P49019 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL4284552 0.83 LMNA (0.45) LMNASMN1; SMN2ALDH1A1POLBHCAR3
SCHEMBL546991 0.82 NPSR1 (0.43) LMNASMN1; SMN2ALDH1A1KCNMA1POLB
SCHEMBL13544467 0.82 L3MBTL1 (0.43) LMNAL3MBTL1ALDH1A1POLBHCAR3
Hydrochloric Acid SCHEMBL3467163 0.81 NPSR1 (0.42) LMNASMN1; SMN2ALDH1A1KCNMA1POLB
SCHEMBL182687 0.78 LMNA (0.41) LMNAL3MBTL1HCAR3
SCHEMBL7514225 0.77 KMT2A (0.49) LMNASMN1; SMN2L3MBTL1ALDH1A1HCAR3
SCHEMBL3060652 0.77 GPR35 (0.40) LMNASMN1; SMN2ALDH1A1KCNMA1MAPT
SCHEMBL3431418 0.77 KCNMA1 (0.43) LMNASMN1; SMN2L3MBTL1ALDH1A1KCNMA1
SCHEMBL953645 0.76 MAPT (0.58) LMNASMN1; SMN2ALDH1A1POLBMAPT
Propane SCHEMBL18131179 0.76 HCAR3 (0.38) LMNAL3MBTL1ALDH1A1HCAR3MAPT

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-20100004243-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-01-07 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-20100004243-A1 PHARMACEUTICAL COMPOUNDS CDK1, CDK2, CDK4 SLC6A2 1702/4885SLC6A4 750/4885SLC6A3 1686/4885

“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.