SCHEMBL17816472

SCHEMBL17816472

C#CC(C)(C)NC(=O)c1ccc(C)nn1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
ANO1 Q5XXA6 17/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GABRA1 P14867 1/20 0.35

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
SCHEMBL16454226 0.84 KMT2A (0.47) ANO1MEN1KMT2AGABRA1
SCHEMBL17816257 0.83 NPC1 (0.40) NPC1PKMRAB9AANO1MEN1
SCHEMBL16454215 0.82 GABRA1 (0.46) ANO1KMT2AGABRA1
SCHEMBL17800712 0.79 NPC1 (0.39) NPC1PKMRAB9AANO1MEN1
SCHEMBL14094489 0.72 BAZ2B (0.43) NPC1RAB9AGABRA1
SCHEMBL21198407 0.72 ANO1 (0.56) NPC1PKMRAB9AANO1MEN1
SCHEMBL17298866 0.71 CNR2 (0.40) GABRA1
SCHEMBL280264 0.71 P2RX7 (0.59) KMT2A
SCHEMBL30252481 0.71 P2RX7 (0.59) KMT2A
SCHEMBL21198323 0.69 ANO1 (0.54) ANO1MEN1KMT2A

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-20160159781-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 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-20160159781-A1 CHEMICAL COMPOUNDS DDT, CBR3, CYP1B1 NPC1 4651/4885PKM 181/4885RAB9A 3334/4885

“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.