SCHEMBL23505846

SCHEMBL23505846

CCn1cncc(CC(C)C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ BTK Q06187 1/20 0.34
▸ GABRA5 P31644 1/20 0.33
▸ PDE7A Q13946 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ SENP8 Q96LD8 1/20 0.32
▸ SENP7 Q9BQF6 1/20 0.32
▸ SENP6 Q9GZR1 1/20 0.32
▸ HTR7 P34969 1/20 0.31
▸ HTR6 P50406 1/20 0.31

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
SCHEMBL15185708 0.83 GABRA5 (0.38) RAB9ASMN1; SMN2NPC1GABRA5TSHR
SCHEMBL23505982 0.79 GABRA5 (0.35) RAB9ASMN1; SMN2NPC1GABRA5TSHR
SCHEMBL24786059 0.79 CHRM5 (0.33) GABRA5NFKB1
SCHEMBL14703669 0.75 GABRA5 (0.35) RAB9ASMN1; SMN2NPC1BTKGABRA5
SCHEMBL17897204 0.74 KCNH2 (0.40) HTR7HTR6
SCHEMBL23505918 0.73 GABRA5 (0.32) RAB9AGABRA5
SCHEMBL23505863 0.72 RAB9A (0.33) RAB9ASMN1; SMN2NPC1TSHRALDH1A1
SCHEMBL14706266 0.72 GABRA5 (0.38) RAB9ASMN1; SMN2NPC1GABRA5TSHR
SCHEMBL20962568 0.71 GABRA5 (0.37) RAB9ASMN1; SMN2NPC1GABRA5TSHR
SCHEMBL23505865 0.71 HTR7 (0.38) RAB9ASMN1; SMN2NPC1GABRA5TSHR

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
EP-3835290-B1 OXADIAZOLINE COMPOUND OR SALT THEREOF, AGRICULTURAL OR HORTICULTURAL BACTERICIDE CONTAINING SAID COMPOUND, AND USE METHOD THEREFOR NIHON NOHYAKU CO LTD (JP) 2023-09-06 — — EP disclosed
US-20230121730-A1 OXADIAZOLINE COMPOUNDS OR SALTS THEREOF, AGROHORTICULTURAL FUNGICIDES CONTAINING THE COMPOUNDS, AND METHODS OF USING THE SAME NIHON NOHYAKU CO., LTD. (JP) 2023-04-20 — — US disclosed
EP-3835290-A1 OXADIAZOLINE COMPOUND OR SALT THEREOF, AGRICULTURAL OR HORTICULTURAL BACTERICIDE CONTAINING SAID COMPOUND, AND USE METHOD THEREFOR Nihon Nohyaku Co., Ltd. (JP) 2021-06-16 — — EP 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-20230121730-A1 OXADIAZOLINE COMPOUNDS OR SALTS THEREOF, AGROHORTICULTURAL FUNGICIDES CONTAINING THE COMPOUNDS, AND METHODS OF USING THE SAME CBR3, XDH, OXA1L RAB9A 2426/4885SMN1; SMN2 3375/4885NPC1 4118/4885

“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.

Send feedback