SCHEMBL25006961

SCHEMBL25006961

CCCCCCCC(C)(CCCCCC)C(=O)c1ccnnc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 1/20 0.42
▸ NAAA Q02083 1/20 0.39
▸ LMNA P02545 2/20 0.36
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TBXA2R P21731 2/20 0.35
▸ TBXAS1 P24557 1/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ MLYCD O95822 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HSD17B3 P37058 5/20 0.33
▸ PIK3CD O00329 1/20 0.33

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
SCHEMBL25007564 0.88 HCAR2 (0.42) HCAR2NAAALMNANFKB1NFKB2
SCHEMBL26290922 0.81 LMNA (0.57) LMNANFKB1NFKB2RELANPC1
SCHEMBL25006960 0.73 HCAR2 (0.57) HCAR2LMNANPC1SMN1; SMN2TBXA2R
SCHEMBL19918755 0.71 L3MBTL1 (0.37) LMNASMN1; SMN2
SCHEMBL19738629 0.70 CNR2 (0.47) CNR1CNR2
SCHEMBL26290927 0.70 LMNA (0.57) LMNANFKB1NFKB2RELANPC1
SCHEMBL18869370 0.69 CNR2 (0.37) CNR1CNR2
SCHEMBL19738702 0.69 CNR2 (0.37) CNR1CNR2
SCHEMBL10245905 0.68 NAAA (0.60) HCAR2NAAASMN1; SMN2MLYCDHDAC3
SCHEMBL23815723 0.68 NPC1 (0.38) NPC1TBXAS1

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-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-02-09 — — 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-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF CYP2B6, CBR3, CYP2A6 HCAR2 333/4885NAAA 2330/4885LMNA 4482/4885

“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.

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