SCHEMBL27158792

SCHEMBL27158792

O=C(O)C(=O)NNC(=O)C1(c2ccccc2)CCOC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.51
▸ LMNA P02545 3/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ CYP2C19 P33261 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ HDAC1 Q13547 1/20 0.45
▸ TSHR P16473 4/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ USP2 O75604 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ P2RX7 Q99572 1/20 0.43
▸ HDAC4 P56524 3/20 0.42
▸ GLS O94925 1/20 0.41
▸ SMN1; SMN2 Q16637 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
SCHEMBL27158105 0.82 NPSR1 (0.53) ALDH1A1LMNAMAPK1CYP2C19NPC1
SCHEMBL23886618 0.78 AKR1C1 (0.58) ALDH1A1LMNAMAPK1CYP2C19NPC1
SCHEMBL25153965 0.75 ALDH1A1 (0.51) ALDH1A1LMNAMAPK1CYP2C19NPC1
SCHEMBL25473619 0.75 ALDH1A1 (0.55) ALDH1A1LMNAMAPK1CYP2C19NPC1
SCHEMBL24780846 0.75 ALDH1A1 (0.55) ALDH1A1LMNAMAPK1CYP2C19NPC1
SCHEMBL1627580 0.71 AKR1C1 (0.68) ALDH1A1LMNAMAPK1CYP2C19NPC1
SCHEMBL25460862 0.71 ALDH1A1 (0.70) ALDH1A1LMNAMAPK1CYP2C19NPC1
SCHEMBL24663634 0.69 ALDH1A1 (0.48) ALDH1A1LMNAMAPK1CYP2C19NPC1
SCHEMBL24780844 0.68 ALDH1A1 (0.62) ALDH1A1LMNAMAPK1CYP2C19NPC1
SCHEMBL2703559 0.68 ALDH1A1 (0.58) ALDH1A1LMNAMAPK1CYP2C19NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240262832-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2024-08-08 — — US disclosed
EP-4329881-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF Vanqua Bio, Inc. (US) 2024-03-06 — — EP disclosed
CN-117642404-A Small molecule modulators of glucocerebrosidase activity and uses thereof 凡况生化公司 2024-03-01 — — CN disclosed
WO-2022232383-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2022-11-03 — — 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-20240262832-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF GBA1, GAA, GBA2 ALDH1A1 1938/4885LMNA 2954/4885MAPK1 2880/4885

“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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