SCHEMBL25007564

SCHEMBL25007564

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 1/20 0.42
▸ TBXA2R P21731 4/20 0.33
▸ TBXAS1 P24557 3/20 0.33
▸ HDAC3 O15379 2/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ NAAA Q02083 1/20 0.33
▸ ESR1 P03372 3/20 0.33
▸ ESR2 Q92731 3/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ KDM6B O15054 1/20 0.31
▸ KDM4C Q9H3R0 1/20 0.31
▸ LMNA P02545 3/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ AR P10275 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
SCHEMBL25006961 0.88 HCAR2 (0.42) HCAR2TBXA2RTBXAS1HDAC3HDAC1
SCHEMBL25006960 0.73 HCAR2 (0.57) HCAR2TBXA2RTBXAS1PIK3CDLMNA
SCHEMBL19918751 0.72 L3MBTL1 (0.38) ESR1L3MBTL1LMNA
SCHEMBL22955828 0.71 KMT2A (0.35) LMNACYP1A2TDP1ARCYP2D6
SCHEMBL26290922 0.70 LMNA (0.57) TBXAS1HDAC3HDAC1HDAC2L3MBTL1
SCHEMBL10245905 0.68 NAAA (0.60) HCAR2HDAC3HDAC1HDAC2NAAA
SCHEMBL24198752 0.68 DDR1 (0.43) LMNANPC1
SCHEMBL19388602 0.68 KDM4E (0.44) L3MBTL1LMNACYP1A2CYP3A4TDP1
SCHEMBL19388576 0.68 HRH3 (0.39) ESR1CYP1A2CYP3A4NPC1CYP2D6
SCHEMBL19223914 0.67 LMNA (0.61) HCAR2HDAC3HDAC1HDAC2L3MBTL1

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 333/4885TBXA2R 3971/4885TBXAS1 3964/4885

“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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