SCHEMBL3714867

SCHEMBL3714867

COC(=O)c1cncc(-c2cccnc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.68
CYP11B1 P15538 2/20 0.66
CYP11B2 P19099 2/20 0.66
CYP19A1 P11511 1/20 0.66
SLC2A1 P11166 1/20 0.61
NEK1 Q96PY6 1/20 0.57
NR4A2 P43354 3/20 0.55
ABL1 P00519 2/20 0.55
OPRM1 P35372 1/20 0.55
KCNH2 Q12809 1/20 0.55
ATM Q13315 1/20 0.54
KMO O15229 1/20 0.54
MKNK1 Q9BUB5 3/20 0.54
MKNK2 Q9HBH9 3/20 0.54
CYP2A6 P11509 1/20 0.52
BCR P11274 1/20 0.52
SRC P12931 1/20 0.52
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPK1 P28482 1/20 0.49

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
SCHEMBL29771391 1.00 ALDH1A1 (0.68) ALDH1A1CYP11B1CYP11B2CYP19A1SLC2A1
SCHEMBL31704881 1.00 ALDH1A1 (0.68) ALDH1A1CYP11B1CYP11B2CYP19A1SLC2A1
SCHEMBL31705350 1.00 ALDH1A1 (0.68) ALDH1A1CYP11B1CYP11B2CYP19A1SLC2A1
SCHEMBL10028685 0.98 ALDH1A1 (0.66) ALDH1A1CYP11B1CYP11B2CYP19A1SLC2A1
SCHEMBL13188366 0.97 CYP11B1 (0.67) ALDH1A1CYP11B1CYP11B2CYP19A1SLC2A1
SCHEMBL13044192 0.92 CYP11B1 (0.64) ALDH1A1CYP11B1CYP11B2CYP19A1SLC2A1
SCHEMBL10028698 0.89 CYP19A1 (0.68) ALDH1A1CYP11B1CYP11B2CYP19A1SLC2A1
SCHEMBL3511516 0.89 CYP19A1 (0.68) ALDH1A1CYP11B1CYP11B2CYP19A1SLC2A1
SCHEMBL1399775 0.88 CYP19A1 (0.74) ALDH1A1CYP11B1CYP11B2CYP19A1SLC2A1
SCHEMBL9008962 0.87 CYP11B1 (0.61) ALDH1A1CYP11B1CYP11B2CYP19A1NEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002346-A1 NEW COMPOUNDS AND METHODS BenevolentAl Bio Limited (GB) 2023-01-05 US disclosed
US-20230002346-A1 NEW COMPOUNDS AND METHODS BenevolentAl Bio Limited (GB) 2023-01-05 US disclosed
EP-4028387-A1 NEW COMPOUNDS AND METHODS BenevolentAI Bio Limited (GB) 2022-07-20 EP disclosed
CN-114502544-A Novel compounds and methods 博善人工智能生物科技有限公司 2022-05-13 CN disclosed
WO-2021048567-A1 NEW COMPOUNDS AND METHODS BENEVOLENTAI BIO LIMITED (GB) 2021-03-18 WO disclosed
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 WO disclosed
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 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-20230002346-A1 NEW COMPOUNDS AND METHODS ABL2, ABL1, ALK ALDH1A1 651/4885CYP11B1 184/4885CYP11B2 209/4885

“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.