SCHEMBL5596703

SCHEMBL5596703

CCS(=O)(=O)NC1CC[CH]CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.39
CA12 O43570 2/20 0.37
CA7 P43166 2/20 0.37
CA14 Q9ULX7 2/20 0.37
SMO Q99835 2/20 0.33
CA1 P00915 2/20 0.33
JAK1 P23458 2/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
RECQL P46063 1/20 0.32
DRD2 P14416 4/20 0.32
HTR2A P28223 4/20 0.32
DRD3 P35462 4/20 0.32
IDH1 O75874 1/20 0.32
AR P10275 1/20 0.32
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL26071651 0.86 PSEN1 (0.44) CA12CA7CA14JAK1DRD2
SCHEMBL1679362 0.84
SCHEMBL5597122 0.80 CA1 (0.33) SMYD3CA12CA7CA14CA1
SCHEMBL8392209 0.79 CA12 (0.48) SMYD3CA12CA7CA14CA1
SCHEMBL24043970 0.79 CA12 (0.54) SMYD3CA12CA7CA14CA1
SCHEMBL1561476 0.77 CA12 (0.40) CA12CA7CA14SMOCA1
SCHEMBL5596805 0.77 SMYD3 (0.35) SMYD3SMOJAK1LMNASMN1; SMN2
SCHEMBL8397078 0.77 CA12 (0.58) CA12CA7CA14CA1LMNA
SCHEMBL24940058 0.76 CA12 (0.44) SMYD3CA12CA7CA14CA1
SCHEMBL25131032 0.76 CA12 (0.44) SMYD3CA12CA7CA14CA1

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-113717156-B EGFR inhibitor, preparation method and application thereof 南京红云生物科技有限公司 2023-05-09 CN disclosed
EP-1829876-A1 NITROGENEOUS TRICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2007-09-05 EP disclosed
US-20060247266-A1 Nitrogen-containing tricyclic compounds ASAHI KASEI PHARMA CORPORATION (JP) 2006-11-02 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-20060247266-A1 Nitrogen-containing tricyclic compounds MYO1B, CHRM1, MYL12A SMYD3 2104/4885CA12 2259/4885CA7 1359/4885

“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.