SCHEMBL22004387

SCHEMBL22004387

Cn1c(-c2cc3ccccc3s2)cc2cc(Cl)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 3/20 0.51
▸ KMT2A Q03164 4/20 0.40
▸ APP P05067 2/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ CYP2A6 P11509 1/20 0.36
▸ PHGDH O43175 3/20 0.36
▸ CHRM2 P08172 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ CHRM5 P08912 1/20 0.35

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
SCHEMBL22021627 0.83 ACLY (0.51) ACLYAPPKDM4ECYP2A6CHRM2
SCHEMBL22004389 0.83 ACLY (0.48) ACLYKMT2AAPPMEN1RXFP1
SCHEMBL22004137 0.80 ACLY (0.52) ACLYKMT2AAPPMEN1KDM4E
SCHEMBL8942357 0.74 KMT2A (0.66) ACLYKMT2AMEN1ALDH1A1HPGD
SCHEMBL22004306 0.71 ACLY (0.49) ACLYKMT2AMEN1RXFP1KDM4E
SCHEMBL7799883 0.71 KMT2A (0.50) ACLYKMT2AAPPMEN1RXFP1
SCHEMBL22004293 0.70 ACLY (0.50) ACLYRXFP1KDM4EMAPTTP53
SCHEMBL11554791 0.69 APP (0.68) ACLYKMT2AAPPMEN1KDM4E
SCHEMBL22004157 0.69 ACLY (0.49) ACLYKMT2AMEN1RXFP1KDM4E
SCHEMBL6492730 0.68 HSD11B1 (0.50) KMT2AMEN1RXFP1KDM4EMAPT

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 1976/4885APP 4262/4885

“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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