SCHEMBL3614562

SCHEMBL3614562

N#Cc1ccc(C(=O)NNC(=O)c2cccnc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.68
CYP11B2 P19099 1/20 0.68
ALDH1A1 P00352 3/20 0.57
MAPT P10636 2/20 0.57
GAA P10253 8/20 0.56
CYP3A4 P08684 1/20 0.56
ALPL P05186 1/20 0.56
ALPI P09923 1/20 0.56
ALPG P10696 1/20 0.56
CYP2C9 P11712 1/20 0.56
POLB P06746 1/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
KMT2A Q03164 2/20 0.54
FTO Q9C0B1 1/20 0.54
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
LMNA P02545 1/20 0.52

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
SCHEMBL31006483 0.87 CYP11B1 (0.59) CYP11B1CYP11B2ALDH1A1MAPTGAA
SCHEMBL28871720 0.87 CYP11B1 (0.59) CYP11B1CYP11B2ALDH1A1MAPTGAA
SCHEMBL3609644 0.85 GRM5 (0.59) CYP11B1CYP11B2GAACYP3A4ALPL
SCHEMBL22983039 0.84 CYP11B1 (0.74) CYP11B1CYP11B2ALDH1A1MAPTGAA
SCHEMBL5361880 0.83 HDAC1 (0.74) ALDH1A1GAACYP3A4ALPLALPI
SCHEMBL4466928 0.83 ALDH1A1 (0.61) CYP11B1CYP11B2ALDH1A1MAPTGAA
SCHEMBL5361922 0.82 GAA (0.77) ALDH1A1GAACYP3A4ALPLALPI
SCHEMBL13381471 0.80 ALDH1A1 (0.70) ALDH1A1GAACYP3A4ALPLALPI
SCHEMBL13381489 0.80 KMT2A (0.68) ALDH1A1MAPTGAACYP3A4ALPL
SCHEMBL5218533 0.80 GAA (0.70) CYP11B1CYP11B2ALDH1A1MAPTGAA

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-20100029685-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2010-02-04 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-20100029685-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS CHRNA3, CHRNA5, CHRNB3 CYP11B1 1140/4885CYP11B2 977/4885ALDH1A1 1090/4885

“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.