SCHEMBL18387704

SCHEMBL18387704

CCC(C)(C)C(=O)c1ccccc1NC

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ ATM Q13315 1/20 0.51
▸ RIPK1 Q13546 6/20 0.42
▸ LMNA P02545 1/20 0.41
▸ KMT2A Q03164 2/20 0.38
▸ KCNA3 P22001 1/20 0.37
▸ CRBN Q96SW2 1/20 0.37
▸ CLCN2 P51788 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ FABP3 P05413 1/20 0.36
▸ FABP4 P15090 1/20 0.36
▸ FABP5 Q01469 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
SCHEMBL13152091 0.82 KDM4E (0.58) POLBKDM4EATMLMNAKMT2A
SCHEMBL20349882 0.78 RIPK1 (0.43) KDM4ERIPK1KMT2A
SCHEMBL14215788 0.77 KDM4E (0.56) POLBKDM4EATMLMNAGAA
SCHEMBL13456694 0.77 ALDH1A1 (0.54) KDM4ERIPK1KMT2A
SCHEMBL23313034 0.77 KDM4E (0.47) KDM4ERIPK1LMNAGAA
SCHEMBL23313200 0.75 ALDH1A1 (0.51) POLBKDM4ERIPK1KMT2AGAA
SCHEMBL6153221 0.75 RIPK1 (0.51) KDM4ERIPK1LMNAKMT2AGAA
SCHEMBL605325 0.74 KDM4E (0.58) POLBKDM4EATMLMNAKMT2A
N-Methylanthranilic Acid SCHEMBL10796607 0.74 KDM4E (0.62) POLBKDM4EATMLMNAKMT2A
SCHEMBL8628627 0.73 POLB (0.67) POLBKDM4EATMKMT2AGAA

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-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 — — 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-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS AGTR2, MME, AGTR1 POLB 4812/4885KDM4E 3004/4885ATM 4250/4885

“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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