SCHEMBL2852968

SCHEMBL2852968

CCCCNC(C)(C)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
EPHX1 P07099 6/20 0.39
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
ACHE P22303 6/20 0.36
MMP2 P08253 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KDM4C Q9H3R0 1/20 0.34

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
Bromide SCHEMBL29127624 0.90 EPHX1 (0.45) EPHX1
SCHEMBL2849739 0.86 KDM4C (0.41) ALOX15EPHX1CA1CA2MMP2
SCHEMBL24779728 0.82 EPHX1 (0.41) ALOX15EPHX1CA1CA2ACHE
SCHEMBL28370224 0.80 KDM4C (0.48) ALOX15EPHX1CA2ACHEMMP2
SCHEMBL28469015 0.77 PAOX (0.31)
SCHEMBL2297015 0.77
SCHEMBL10232096 0.76 APP (0.39)
SCHEMBL3885213 0.74 KDM4C (0.47) ALOX15EPHX1KDM4C
SCHEMBL19966221 0.74 CYP1A2 (0.30)
SCHEMBL28841674 0.72 EPHX1 (0.48) EPHX1

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
EP-3862023-A1 CONJUGATES OF CELL-BINDING MOLECULES WITH CYTOTOXIC AGENTS Hangzhou DAC Biotech Co, Ltd (CN) 2021-08-11 EP disclosed
US-8354442-B2 Imidazol-4-one and imidazole-4-thione compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2013-01-15 US disclosed
WO-2010062686-A2 IMIDAZOL-4-ONE AND IMIDAZOLE-4-THIONE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2010-06-03 WO disclosed
US-20100113546-A1 Imidazol-4-one and Imidazole-4-thione Compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2010-05-06 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 (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-20100113546-A1 Imidazol-4-one and Imidazole-4-thione Compounds CNR1, CNR2, HRH4 ALOX15 3776/4885EPHX1 2223/4885CA1 4057/4885

“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.