SCHEMBL4680436

SCHEMBL4680436

CSC(=C[N+](=O)[O-])Nc1cccnc1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.71
MAPT P10636 8/20 0.71
LMNA P02545 2/20 0.61
HTT P42858 2/20 0.59
SMN1; SMN2 Q16637 3/20 0.52
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
PKM P14618 2/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.46
TP53 P04637 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL4680434 1.00 ALDH1A1 (0.71) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL31307214 0.84 ALDH1A1 (0.71) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL8591331 0.84 MAPT (1.00) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL16077770 0.84 MAPT (1.00) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL8591336 0.84 MAPT (1.00) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL4678812 0.78 CYP11B1 (0.55) ALDH1A1MAPTLMNASMN1; SMN2CYP11B1
SCHEMBL4678817 0.78 CYP11B1 (0.55) ALDH1A1MAPTLMNASMN1; SMN2CYP11B1
SCHEMBL7659946 0.77 HTT (0.56) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL7659940 0.77 HTT (0.56) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL7665659 0.77 ALDH1A1 (0.70) ALDH1A1MAPTLMNAHTTSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392655-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2008-07-16 EP disclosed
EP-1198456-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2007-09-19 EP disclosed
US-6645968-B2 E.g., N-(1-((anilinocarbonyl)amino)-2,2,2-trichloroethyl)-4-methyl-benzamide; antiepileptic, -ischemic and cardiotonic agents; sexual, eating and urogenital disorders; asthma; migraines; ABBOTT LABORATORIES 2003-11-11 US disclosed
US-20020028836-A1 Potassium channel openers ABBVIE INC. 2002-03-07 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-20020028836-A1 Potassium channel openers KCNJ2, KCNJ11, KCNJ1 ALDH1A1 704/4885MAPT 2939/4885LMNA 715/4885

“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.