SCHEMBL22005115

SCHEMBL22005115

CC(C)n1c(-c2ccccc2)cc2cc(C(=O)N3CCC3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.48
MAPK1 P28482 1/20 0.48
GHSR Q92847 1/20 0.46
ACLY P53396 2/20 0.46
TSHR P16473 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FASN P49327 1/20 0.43
PADI4 Q9UM07 1/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL22005113 0.84 FASN (0.58) HPGDMAPK1GHSRACLYTSHR
SCHEMBL22004127 0.83 ACLY (0.51) HPGDACLYALDH1A1SMN1; SMN2MAPT
SCHEMBL22004138 0.81 ACLY (0.48) HPGDACLYKMT2AALDH1A1SMN1; SMN2
SCHEMBL22004147 0.79 ACLY (0.50) HPGDACLYTSHRALDH1A1
SCHEMBL22004310 0.79 ACLY (0.50) HPGDACLYKMT2AMEN1ALDH1A1
SCHEMBL4465098 0.75 CHRNA7 (0.51) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL22004341 0.73 ACLY (0.46) HPGDACLYKMT2AALDH1A1SMN1; SMN2
SCHEMBL3177575 0.73 CHRNA7 (0.51) HRH3
SCHEMBL21244768 0.72 NR1I2 (0.48) ACLYTSHRKMT2AALDH1A1LMNA
SCHEMBL3174857 0.72 KMT2A (0.54) KMT2AMEN1ALDH1A1LMNASMN1; SMN2

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 HPGD 1212/4885MAPK1 4237/4885GHSR 4347/4885

“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.