SCHEMBL22004117

SCHEMBL22004117

Cn1c(C2CC2)cc2cc(Cl)ccc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.45
ACLY P53396 1/20 0.44
MCHR1 Q99705 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PROKR1 Q8TCW9 3/20 0.39
PHGDH O43175 5/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HCRTR1 O43613 1/20 0.36
MAPT P10636 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
DRD2 P14416 1/20 0.35
SLC6A4 P31645 1/20 0.35
MAT2A P31153 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
SCHEMBL17522468 0.77 KMT2A (0.47) MEN1KMT2APROKR1KDM4EMAPT
SCHEMBL22021626 0.76 ACLY (0.47) ACLYCASP1DRD2
SCHEMBL29104129 0.75 AHR (0.40) AHRMCHR1RXFP1MEN1KMT2A
SCHEMBL435737 0.72 RXFP1 (0.47) AHRACLYRXFP1MEN1KMT2A
SCHEMBL13197458 0.71 PROKR1 (0.42) MEN1KMT2APROKR1KDM4EMAPT
SCHEMBL8899119 0.71 RXFP1 (0.46) AHRRXFP1MEN1KMT2APHGDH
SCHEMBL3386079 0.71 RXFP1 (0.46) AHRRXFP1MEN1KMT2APHGDH
SCHEMBL27764951 0.70 RXFP1 (0.43) AHRRXFP1MEN1KMT2APHGDH
SCHEMBL28620587 0.69 PROKR1 (0.48) MEN1KMT2APROKR1KDM4EMAPT
SCHEMBL7799883 0.68 KMT2A (0.50) AHRACLYRXFP1MEN1KMT2A

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
WO-2020102616-A1 ACLY INHIBITORS AND USES THEREOF Nimbus Artemis, Inc. (US) 2020-05-22 WO disclosed
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 AHR 4301/4885ACLY 1/4885MCHR1 4860/4885

“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.