SCHEMBL22004294

SCHEMBL22004294

CC(C)n1c(-c2cncs2)cc2cc(Cl)ccc21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 4/20 0.47
▸ BRD4 O60885 2/20 0.38
▸ BRD2 P25440 1/20 0.38
▸ BRD3 Q15059 1/20 0.38
▸ THRB P10828 3/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CD38 P28907 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.32
▸ KDR P35968 1/20 0.32

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
SCHEMBL22003815 0.84 ACLY (0.51) ACLYBRD4MAPTCD38RXFP1
SCHEMBL22004293 0.82 ACLY (0.50) ACLYBRD4THRBMAPTCD38
SCHEMBL22004317 0.81 ACLY (0.50) ACLYBRD4CD38TP53KDR
SCHEMBL22004122 0.77 ACLY (0.46) ACLYTHRBMAPTHTR2AHTR2C
SCHEMBL22004395 0.75 KCNH2 (0.45) ACLYTHRBMAPTTDP1HTR2A
SCHEMBL22005108 0.74 ACLY (0.50) ACLYTHRBMAPTKDR
SCHEMBL22003806 0.74 HTT (0.50) ACLY
SCHEMBL22004327 0.74 ACLY (0.52) ACLYTHRBMAPTHTR2AHTR2C
SCHEMBL22004313 0.73 ACLY (0.47) ACLYTHRBMAPTHTR2AHTR2C
SCHEMBL22003798 0.72 ACLY (0.44) ACLYTHRBMAPT

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 ACLY 1/4885BRD4 3711/4885BRD2 4581/4885

“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