SCHEMBL23559176

SCHEMBL23559176

CC(S)c1ocnc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 8/20 0.42
▸ TDP1 Q9NUW8 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ NOTUM Q6P988 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 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
SCHEMBL14790520 0.85 MAPK14 (0.47) MAPK14TDP1MEN1KMT2AKDM4E
SCHEMBL10832865 0.78 MAPK14 (0.39) MAPK14ADORA2ALMNASMN1; SMN2ALDH1A1
SCHEMBL10832326 0.78 PTGS2 (0.46) MAPK14MEN1KMT2AKDM4EPTGS1
SCHEMBL11751581 0.72 MAPK14 (0.49) MAPK14MEN1KMT2AKDM4EADORA2A
SCHEMBL11752620 0.72 MAPK14 (0.49) MAPK14ADORA2A
SCHEMBL11752064 0.71 ADORA2A (0.55) MAPK14MEN1KMT2AKDM4EADORA2A
SCHEMBL8060009 0.71 PTGS1 (0.47) MAPK14TDP1MEN1KMT2AKDM4E
SCHEMBL26525871 0.71 ALOX15 (0.38) MAPK14TDP1MEN1KMT2AKDM4E
SCHEMBL24212672 0.70 MAPK14 (0.49) MAPK14TDP1MEN1KMT2AADORA2A
SCHEMBL926216 0.69 MAPK14 (0.55) MAPK14MEN1KMT2AKDM4EADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210188814-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-06-24 — — 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-20210188814-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF IL6, IL1B, IL1A MAPK14 1820/4885TDP1 213/4885MEN1 4368/4885

“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.

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