SCHEMBL25006960

SCHEMBL25006960

CC(C)(C)C(=O)c1ccnnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 1/20 0.57
▸ LMNA P02545 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PIK3CD O00329 1/20 0.38
▸ TBXA2R P21731 4/20 0.35
▸ TBXAS1 P24557 3/20 0.35
▸ HSD17B10 Q99714 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ NAPRT Q6XQN6 1/20 0.32
▸ VNN1 O95497 1/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ AR P10275 1/20 0.32

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
SCHEMBL21806049 0.79 HCAR2 (0.57) HCAR2
SCHEMBL2896973 0.76 — —
SCHEMBL803474 0.76 NAPRT (0.52) LMNACYP1A2CYP3A4HSD17B10MAPT
SCHEMBL31522121 0.75 HCAR2 (0.70) HCAR2LMNAPIK3CDTBXA2RTBXAS1
SCHEMBL30312579 0.75 HCAR2 (0.52) HCAR2PIK3CDTBXA2RTBXAS1ALDH1A1
SCHEMBL27659304 0.75 HCAR2 (0.52) HCAR2PIK3CDTBXA2RTBXAS1ALDH1A1
SCHEMBL6415026 0.75 HCAR2 (0.52) HCAR2LMNAMAPTSMN1; SMN2HTT
SCHEMBL25006961 0.73 HCAR2 (0.42) HCAR2LMNAPIK3CDTBXA2RTBXAS1
SCHEMBL25007564 0.73 HCAR2 (0.42) HCAR2LMNACYP1A2CYP3A4CYP11B1
SCHEMBL31703901 0.73 LMNA (0.69) HCAR2LMNACYP1A2CYP3A4CYP11B1

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 333/4885LMNA 4482/4885CYP1A2 40/4885

“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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