SCHEMBL21850141

SCHEMBL21850141

COC(=O)C(CCC#N)(CCC#N)C(=O)Oc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.36
FAAH O00519 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
ELANE P08246 4/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL22047375 0.87 MEN1 (0.64) KMT2AMEN1ALDH1A1SMN1; SMN2GAA
SCHEMBL8642675 0.79 MEN1 (0.66) KMT2AMEN1HSD17B10
SCHEMBL21850140 0.78 KMT2A (0.49) KMT2AMEN1HPGDCYP1A2ELANE
SCHEMBL155369 0.72 MEN1 (0.53) KMT2AMEN1ALDH1A1SMN1; SMN2GAA
SCHEMBL10937589 0.71 CTSL (0.44) KMT2AALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL10937584 0.71 CTSL (0.44) KMT2AALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL25555697 0.70 MEN1 (0.86) KMT2AMEN1ALDH1A1SMN1; SMN2GAA
SCHEMBL28004319 0.68 ELANE (0.47) KMT2AMEN1ALDH1A1FAAHHPGD
SCHEMBL11931824 0.68 CTSD (0.43) KMT2AMEN1SMN1; SMN2HPGDMAPT
SCHEMBL13551942 0.67 ELANE (0.70) KMT2AELANEMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200176817-A1 ELECTROLYTE AND BATTERY CONTEMPORARY AMPEREX TECHNOLOGY (HONG KONG) LIMITED (CN) 2020-06-04 US disclosed
EP-3629411-A1 ELECTROLYTE AND BATTERY Contemporary Amperex Technology Co., Limited (CN) 2020-04-01 EP 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-20200176817-A1 ELECTROLYTE AND BATTERY ANO1, KCNN2, HCN2 KMT2A 2566/4885MEN1 837/4885ALDH1A1 2384/4885

“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.