SCHEMBL23013113

SCHEMBL23013113

Cc1nn(-c2ccc(/C(N)=N\O)cc2)c(C)c1CC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.43
TSHR P16473 1/20 0.41
SLC34A1 Q06495 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AR P10275 1/20 0.37
PDE4D Q08499 1/20 0.37
PTGDR2 Q9Y5Y4 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
SCHEMBL23013115 1.00 P2RX7 (0.43) P2RX7TSHRSLC34A1NPC1RAB9A
SCHEMBL28734553 0.84 NPC1 (0.49) P2RX7TSHRNPC1RAB9AKMT2A
SCHEMBL23013058 0.81 SLC34A1 (0.55) P2RX7TSHRSLC34A1NPC1RAB9A
SCHEMBL9882891 0.79 AR (0.48) P2RX7TSHRNPC1RAB9AAR
SCHEMBL9609107 0.76 P2RX7 (0.47) P2RX7TSHRNPC1RAB9APTGDR2
SCHEMBL8516281 0.75 L3MBTL1 (0.53) P2RX7TSHRNPC1RAB9AKMT2A
SCHEMBL23013196 0.73 POLB (0.41) P2RX7TSHRNPC1RAB9AKMT2A
SCHEMBL23013198 0.73 POLB (0.41) P2RX7TSHRNPC1RAB9AKMT2A
SCHEMBL23013042 0.73 HDAC4 (0.50)
SCHEMBL1194981 0.71 MEN1 (0.56) P2RX7TSHRSLC34A1NPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220348567-A1 NOVEL OXADIAZOLE COMPOUNDS CONTAINING 5- MEMBERED HETEROAROMATIC RING FOR CONTROLLING OR PREVENTING PHYTOPATHOGENIC FUNGI PI INDUSTRIES LTD. (IN) 2022-11-03 US disclosed
EP-4017852-A1 NOVEL OXADIAZOLE COMPOUNDS CONTAINING 5- MEMBERED HETEROAROMATIC RING FOR CONTROLLING OR PREVENTING PHYTOPATHOGENIC FUNGI PI Industries Ltd. (IN) 2022-06-29 EP disclosed
WO-2021033133-A1 NOVEL OXADIAZOLE COMPOUNDS CONTAINING 5- MEMBERED HETEROAROMATIC RING FOR CONTROLLING OR PREVENTING PHYTOPATHOGENIC FUNGI PI INDUSTRIES LTD. (IN) 2021-02-25 WO 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-20220348567-A1 NOVEL OXADIAZOLE COMPOUNDS CONTAINING 5- MEMBERED HETEROAROMATIC RING FOR CONTROLLING OR PREVENTING PHYTOPATHOGENIC FUNGI ERG28, CYP51A1, BROX P2RX7 1205/4885TSHR 4823/4885SLC34A1 4258/4885

“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.