SCHEMBL3608724

SCHEMBL3608724

O=C(NNC(=O)c1ccc(Br)o1)c1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.58
POLB P06746 2/20 0.58
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.58
APEX1 P27695 1/20 0.58
RAB9A P51151 1/20 0.56
HDAC1 Q13547 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
GAA P10253 6/20 0.52
FTO Q9C0B1 1/20 0.51
CYP2C9 P11712 2/20 0.50
ALPL P05186 1/20 0.50
ALPI P09923 1/20 0.50
ALPG P10696 1/20 0.50
ALDH1A1 P00352 2/20 0.49
HSD17B10 Q99714 1/20 0.49
NPC1 O15118 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL3611811 0.86 GAA (0.55) KMT2AMEN1LMNAMAPTHDAC1
SCHEMBL5361880 0.81 HDAC1 (0.74) KMT2ALMNAHDAC1HDAC6GAA
SCHEMBL18136526 0.78 HDAC1 (0.65) KMT2ALMNAHDAC1HDAC6GAA
SCHEMBL5218533 0.77 GAA (0.70) KMT2APOLBMEN1LMNAMAPT
SCHEMBL3611268 0.77 HDAC1 (0.54) KMT2APOLBLMNAHDAC1HDAC6
SCHEMBL3616463 0.77 SMN1; SMN2 (0.67) KMT2APOLBKDM4EMEN1LMNA
SCHEMBL5361922 0.76 GAA (0.77) KMT2APOLBLMNAHDAC1HDAC6
SCHEMBL13381471 0.75 ALDH1A1 (0.70) KMT2APOLBLMNAHDAC1HDAC6
SCHEMBL22341320 0.75 FTO (0.67) KMT2APOLBKDM4EMEN1LMNA
SCHEMBL18136525 0.73 KMT2A (0.63) KMT2APOLBKDM4ELMNAHDAC1

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 KMT2A 3495/4885POLB 3539/4885KDM4E 3713/4885

“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.