SCHEMBL29458758

SCHEMBL29458758

N=C(N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.51
HDAC4 P56524 4/20 0.48
HDAC3 O15379 3/20 0.48
HDAC7 Q8WUI4 3/20 0.48
HDAC2 Q92769 3/20 0.48
HDAC10 Q969S8 3/20 0.48
HDAC11 Q96DB2 3/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC9 Q9UKV0 3/20 0.48
HDAC5 Q9UQL6 3/20 0.48
CCKBR P32239 1/20 0.44
EPHX1 P07099 2/20 0.43
MCHR1 Q99705 1/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
TPSAB1 Q15661 1/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL676270 1.00 HDAC1 (0.51) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL676271 1.00 HDAC1 (0.51) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL10583019 1.00 HDAC1 (0.51) HDAC1HDAC4HDAC3HDAC7HDAC2
Hydrochloric Acid SCHEMBL10603655 0.99 HDAC1 (0.50) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL8994359 0.92 HDAC1 (0.46) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL8341786 0.88 HDAC1 (0.43) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL8342382 0.88 MEN1 (0.43) HDAC1EPHX1CYP2C19MEN1KMT2A
Hydrochloric Acid SCHEMBL28274785 0.87 MEN1 (0.43) HDAC1EPHX1CYP2C19MEN1KMT2A
Hydrochloric Acid SCHEMBL28274778 0.87 MEN1 (0.43) HDAC1EPHX1CYP2C19MEN1KMT2A
SCHEMBL27352129 0.87 NPY4R (0.47) EPHX1MEN1KMT2AMAPT

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
US-20250161468-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2025-05-22 US disclosed
US-20240390507-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2024-11-28 US disclosed
CN-113924492-B Detection of microbial endotoxin in oral samples using an aptamer 宝洁公司 2024-07-16 CN disclosed
CN-219951029-U Enzyme reaction detection device 武汉简为医疗科技有限公司 2023-11-03 CN disclosed
US-11643661-B2 Detection of microbial endotoxins in oral samples using aptamers THE PROCTER & GAMBLE COMPANY (US) 2023-05-09 US disclosed
CN-109988228-B Mongolian astragalus disease course related protein and crystal, growth method and application thereof 山西中医药大学 2022-11-25 CN disclosed
US-20220119496-A1 INHIBITORS OF CYSTEINE PEPTIDASES ISOLATED FROM NATURAL RAW MATERIALS AND USE OF THE INHIBITORS IN MEDICINE AND VETERINARY MEDICINE RAPAK, Andrzej Marek (PL) 2022-04-21 US disclosed
EP-3966330-A2 DETECTION OF MICROBIAL ENDOTOXINS IN ORAL SAMPLES USING APTAMERS The Procter & Gamble Company (US) 2022-03-16 EP 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-20250161468-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE OPRM1, OPRK1, OPRL1 HDAC1 106/4885HDAC4 794/4885HDAC3 179/4885
US-20240390507-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE OPRM1, OPRK1, OPRL1 HDAC1 106/4885HDAC4 794/4885HDAC3 179/4885

“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.