SCHEMBL22030488

SCHEMBL22030488

COC(=O)[C@@H]1c2c(cnn2C)[C@@H]2CN1C(=O)N2OCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.36
KCNA5 P22460 4/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
POLB P06746 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PDE1C Q14123 2/20 0.33
FKBP1A P62942 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 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
SCHEMBL2066952 0.91 KCNA5 (0.36) ACHEKCNA5POLBCYP3A4CYP2C9
SCHEMBL20557817 0.91 KCNA5 (0.36) ACHEKCNA5POLBCYP3A4CYP2C9
SCHEMBL20557411 0.90 POLB (0.36) ACHEKCNA5POLBCYP3A4CYP2C9
SCHEMBL22030701 0.90 KCNA5 (0.33) ACHEKCNA5ITGA4ITGB7POLB
SCHEMBL4695546 0.90 KCNA5 (0.34) ACHEKCNA5POLBCYP3A4CYP2C9
SCHEMBL4695543 0.90 KCNA5 (0.34) ACHEKCNA5POLBCYP3A4CYP2C9
SCHEMBL4695537 0.90 KCNA5 (0.34) ACHEKCNA5POLBCYP3A4CYP2C9
SCHEMBL4130795 0.89 POLB (0.35) KCNA5POLBALDH1A1LMNASMN1; SMN2
SCHEMBL4130799 0.89 POLB (0.35) KCNA5POLBALDH1A1LMNASMN1; SMN2
SCHEMBL4133925 0.89 ACHE (0.38) ACHEKCNA5ALDH1A1HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110709081-B Compounds and methods for treating bacterial infections 恩塔西斯治疗公司 2023-09-22 CN disclosed
US-11046694-B2 Compounds and methods for treating bacterial infections ENTASIS THERAPEUTICS, INC. (US) 2021-06-29 US disclosed
US-20200165251-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS ENTASIS THERAPEUTICS, INC. 2020-05-28 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 (2 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-11046694-B2 Compounds and methods for treating bacterial infections MRPL21, CFTR, C5 ACHE 1408/4885KCNA5 1510/4885ITGA4 2742/4885
US-20200165251-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS MRPL21, CFTR, C5 ACHE 1408/4885KCNA5 1510/4885ITGA4 2742/4885

“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.