SCHEMBL3616463

SCHEMBL3616463

O=C(NNC(=O)c1ccco1)c1cccnc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.67
POLB P06746 2/20 0.62
LMNA P02545 1/20 0.62
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
TP53 P04637 1/20 0.62
ALOX15 P16050 1/20 0.62
ALDH1A1 P00352 1/20 0.58
HPGD P15428 1/20 0.58
KDM4E B2RXH2 1/20 0.57
KMT2A Q03164 4/20 0.56
MEN1 O00255 1/20 0.56
MAPT P10636 1/20 0.55
HTT P42858 1/20 0.55
GAA P10253 2/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
FTO Q9C0B1 1/20 0.54
ALPL P05186 1/20 0.52
ALPI P09923 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
SCHEMBL19294485 0.88 GAA (0.68) SMN1; SMN2POLBLMNAALDH1A1HPGD
SCHEMBL19299375 0.88 GAA (0.72) SMN1; SMN2POLBLMNAALDH1A1HPGD
SCHEMBL5361880 0.83 HDAC1 (0.74) SMN1; SMN2LMNAALDH1A1KMT2AGAA
SCHEMBL16237705 0.81 KMT2A (0.61) SMN1; SMN2POLBLMNANPC1RAB9A
SCHEMBL3611268 0.79 HDAC1 (0.54) SMN1; SMN2POLBLMNAALDH1A1KMT2A
SCHEMBL5361922 0.79 GAA (0.77) POLBLMNAALDH1A1KMT2AHTT
Niacin SCHEMBL30309816 0.78 ALDH1A1 (0.68) SMN1; SMN2POLBLMNANPC1RAB9A
SCHEMBL18136526 0.77 HDAC1 (0.65) SMN1; SMN2LMNAALDH1A1KMT2AGAA
SCHEMBL22341320 0.77 FTO (0.67) SMN1; SMN2POLBLMNANPC1RAB9A
SCHEMBL13381471 0.77 ALDH1A1 (0.70) POLBLMNATP53ALDH1A1KMT2A

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 SMN1; SMN2 274/4885POLB 3539/4885LMNA 3800/4885

“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.