SCHEMBL3603838

SCHEMBL3603838

N#CCc1cccc(C(=O)NNC(=O)c2cccnc2)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.55
KMT2A Q03164 6/20 0.53
GAA P10253 6/20 0.52
NPC1 O15118 3/20 0.50
MEN1 O00255 3/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
FTO Q9C0B1 1/20 0.48
THRB P10828 1/20 0.48
HDAC6 Q9UBN7 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
HDAC2 Q92769 2/20 0.47
ALPL P05186 1/20 0.47
ALPI P09923 1/20 0.47
ALPG P10696 1/20 0.47
HDAC3 O15379 1/20 0.47
CYP2C9 P11712 1/20 0.47
HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL3605680 0.81 EPHX2 (0.42) HDAC1NPC1RAB9ASMN1; SMN2
SCHEMBL3609644 0.80 GRM5 (0.59) HDAC1KMT2AGAAFTOHDAC6
SCHEMBL5361880 0.78 HDAC1 (0.74) HDAC1KMT2AGAASMN1; SMN2FTO
SCHEMBL3617557 0.77 ALDH1A1 (0.54) KMT2AGAANPC1MEN1RAB9A
SCHEMBL5437219 0.76 SLC7A5 (0.55) KMT2AMEN1HDAC6HDAC8
SCHEMBL3612673 0.75 SIRT2 (0.64) HDAC1KMT2AGAAMEN1SMN1; SMN2
SCHEMBL29493676 0.74
SCHEMBL254758 0.74
SCHEMBL3614562 0.73 CYP11B1 (0.68) HDAC1KMT2AGAAFTOHDAC6
SCHEMBL5361922 0.73 GAA (0.77) HDAC1KMT2AGAAFTOTHRB

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 1020/4885KMT2A 3495/4885GAA 4007/4885

“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.