SCHEMBL5530068

SCHEMBL5530068

O=CCCC(=O)N1CCCC1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.60
▸ ALDH1A1 P00352 5/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ TDP1 Q9NUW8 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ NPC1 O15118 2/20 0.44
▸ HPGD P15428 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ RAB9A P51151 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ NAAA Q02083 1/20 0.40

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
SCHEMBL3498067 0.98 ATM (0.58) ATMALDH1A1SMN1; SMN2L3MBTL1TDP1
SCHEMBL4812065 0.85 ATM (0.65) ATMALDH1A1SMN1; SMN2L3MBTL1TDP1
SCHEMBL7548624 0.85 ATM (0.65) ATMALDH1A1SMN1; SMN2L3MBTL1TDP1
SCHEMBL8273595 0.84 ATM (0.63) ATMALDH1A1SMN1; SMN2L3MBTL1TDP1
SCHEMBL23096828 0.81 TDP1 (0.45) ATMALDH1A1SMN1; SMN2L3MBTL1TDP1
SCHEMBL12443868 0.81 DDB1 (0.44) ATMALDH1A1SMN1; SMN2TDP1KMT2A
SCHEMBL22623120 0.81 ATM (0.59) ATMALDH1A1SMN1; SMN2L3MBTL1TDP1
SCHEMBL5857321 0.81 KMT2A (0.45) ATMALDH1A1SMN1; SMN2TDP1KMT2A
SCHEMBL4816120 0.81 L3MBTL1 (0.52) ALDH1A1SMN1; SMN2L3MBTL1NPC1HSD17B10
SCHEMBL10337221 0.78 ATM (0.56) ATMALDH1A1SMN1; SMN2L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114191439-B Application of C-23-position nitrogen-containing heterocyclic derivative of A-cycloisoxazole-ring hederagenin 烟台大学 2023-04-25 — — CN claimed
CN-114213501-B C-23 nitrogen-containing heterocyclic derivative of cycloisoxazole ring hederagenin and preparation method thereof 烟台大学 2023-01-20 — — CN claimed
CN-114191439-B Application of C-23-position nitrogen-containing heterocyclic derivative of A-cycloisoxazole-ring hederagenin 烟台大学 2023-04-25 — — CN disclosed
CN-114213501-B C-23 nitrogen-containing heterocyclic derivative of cycloisoxazole ring hederagenin and preparation method thereof 烟台大学 2023-01-20 — — CN disclosed
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 — — US disclosed
EP-1698626-A1 AMIDOPYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 — — EP disclosed
EP-0831826-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PROTEINASE INHIBITOR AND A MONOGLYCERIDE F. HOFFMANN-LA ROCHE AG (CH) 1998-04-01 — — EP disclosed
WO-1996039142-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PROTEINASE INHIBITOR AND A MONOGLYCERIDE F. HOFFMANN-LA ROCHE AG (CH) 1996-12-12 — — 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-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 ATM 2599/4885ALDH1A1 171/4885SMN1; SMN2 4048/4885

“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