SCHEMBL3611268

SCHEMBL3611268

O=C(NNC(=O)c1ccno1)c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.54
HDAC6 Q9UBN7 1/20 0.54
KMT2A Q03164 2/20 0.54
FTO Q9C0B1 1/20 0.54
GAA P10253 8/20 0.52
CYP2C9 P11712 2/20 0.52
ALPL P05186 1/20 0.52
ALPI P09923 1/20 0.52
ALPG P10696 1/20 0.52
POLB P06746 1/20 0.51
THRB P10828 1/20 0.50
LMNA P02545 1/20 0.50
HIF1A Q16665 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
CYP3A4 P08684 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC2 Q92769 1/20 0.49
ROCK2 O75116 1/20 0.49

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
SCHEMBL5361880 0.83 HDAC1 (0.74) HDAC1HDAC6KMT2AFTOGAA
SCHEMBL3616463 0.79 SMN1; SMN2 (0.67) HDAC1HDAC6KMT2AFTOGAA
SCHEMBL5361922 0.79 GAA (0.77) HDAC1HDAC6KMT2AFTOGAA
SCHEMBL13381471 0.77 ALDH1A1 (0.70) HDAC1HDAC6KMT2AFTOGAA
SCHEMBL22341320 0.77 FTO (0.67) HDAC1HDAC6KMT2AFTOGAA
SCHEMBL18136526 0.77 HDAC1 (0.65) HDAC1HDAC6KMT2AFTOGAA
SCHEMBL29996013 0.77 LMNA (0.59) HDAC1HDAC6KMT2AGAATHRB
SCHEMBL3608724 0.77 KMT2A (0.58) HDAC1HDAC6KMT2AFTOGAA
SCHEMBL3611811 0.77 GAA (0.55) HDAC1HDAC6KMT2AFTOGAA
SCHEMBL18136525 0.76 KMT2A (0.63) HDAC1HDAC6KMT2AFTOGAA

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 HDAC1 1020/4885HDAC6 804/4885KMT2A 3495/4885

“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.