SCHEMBL22005087

SCHEMBL22005087

CN(C)C(=O)c1ccccc1-c1cc2cc(Cl)ccc2n1C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 4/20 0.57
▸ KMT2A Q03164 6/20 0.44
▸ MEN1 O00255 5/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ KDM4E B2RXH2 3/20 0.42
▸ RECQL P46063 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ PHGDH O43175 3/20 0.40
▸ PTGER1 P34995 1/20 0.40
▸ GFER P55789 1/20 0.40

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
SCHEMBL12583871 0.86 KMT2A (0.54) ACLYKMT2AMEN1ALDH1A1HPGD
SCHEMBL22021594 0.84 ACLY (0.55) ACLYKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL988193 0.82 SLC6A4 (0.53) ACLYKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL22004299 0.77 ACLY (0.59) ACLYRXFP1PHGDHGFER
SCHEMBL22021593 0.77 ACLY (0.58) ACLYKMT2AMEN1RXFP1GFER
SCHEMBL22004306 0.76 ACLY (0.49) ACLYKMT2AMEN1ALDH1A1HPGD
SCHEMBL22022199 0.76 RXFP1 (0.59) ACLYKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL22004199 0.74 ACLY (1.00) ACLY
SCHEMBL22021591 0.74 KMT2A (0.46) ACLYKMT2AMEN1ALDH1A1HPGD
SCHEMBL12585250 0.72 PHGDH (0.68) KMT2AMEN1PHGDH

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-20200157076-A1 ACLY INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2020-05-21 — — 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-20200157076-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG ACLY 1/4885KMT2A 1976/4885MEN1 3767/4885

“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.

Send feedback