SCHEMBL25705148

SCHEMBL25705148

CC(C)C(=O)Cc1nn[nH]n1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
KDM6B O15054 1/20 0.53
KDM4A O75164 1/20 0.53
KDM5A P29375 1/20 0.53
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.42
NAALAD2 Q9Y3Q0 2/20 0.41
TDP1 Q9NUW8 1/20 0.39
PLA2G2C Q5R387 1/20 0.37
RBP4 P02753 1/20 0.36
MLYCD O95822 1/20 0.36

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
SCHEMBL21776362 0.81 L3MBTL1 (0.48) CA12CA1CA2CA9KDM6B
SCHEMBL5591576 0.74
SCHEMBL12432398 0.73 KDM6B (0.58) CA12CA1CA2CA9KDM6B
SCHEMBL353804 0.73 KDM6B (0.68) CA12CA1CA2CA9KDM6B
SCHEMBL19755641 0.73 FPR2 (0.50) CA12CA1CA2CA9KDM6B
SCHEMBL1781507 0.70 CA12 (1.00) CA12CA1CA2CA9KDM6B
SCHEMBL888663 0.69 CYP1A2 (0.33)
SCHEMBL2651357 0.69
SCHEMBL17034776 0.67 FPR2 (0.48) CA12CA1CA2CA9KDM6B
SCHEMBL20143838 0.67 L3MBTL1 (0.48) CA12CA1CA2CA9KDM6B

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-11787837-B2 DCHBS-active esters of PEG compounds and their use NOVO NORDISK A/S (DK) 2023-10-17 US disclosed
US-11708346-B2 Treatment and prevention of neuropathic pain with P2Y14 antagonists SAINT LOUIS UNIVERSITY (US) 2023-07-25 US disclosed
US-20230183179-A1 NOVEL CELL METABOLISM MODULATING COMPOUNDS AND USES THEREOF CRESCENTA BIOSCIENCES (US) 2023-06-15 US disclosed
US-20170204087-A1 2-OXINDOLE COMPOUNDS CHEMOCENTRYX, INC. 2017-07-20 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 (4 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-11708346-B2 Treatment and prevention of neuropathic pain with P2Y14 antagonists P2RY14, P2RY4, P2RY13 CA12 4122/4885CA1 3403/4885CA2 1315/4885
US-20230183179-A1 NOVEL CELL METABOLISM MODULATING COMPOUNDS AND USES THEREOF FABP4, FABP1, FABP3 CA12 4539/4885CA1 4794/4885CA2 3678/4885
US-20170204087-A1 2-OXINDOLE COMPOUNDS CCR9, CCR1, CCRL2 CA12 1844/4885CA1 2765/4885CA2 2992/4885
US-11787837-B2 DCHBS-active esters of PEG compounds and their use HBB, IAPP, GLP1R CA12 2374/4885CA1 3636/4885CA2 2964/4885

“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.