SCHEMBL22004309

SCHEMBL22004309

CCn1c(-c2cccc(C(=O)N(C)C)c2)cc2cc(Cl)ccc21

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 8/20 0.58
▸ CCR2 P41597 1/20 0.43
▸ GRIK1 P39086 1/20 0.42
▸ GRIK2 Q13002 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ CECR2 Q9BXF3 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ ERN1 O75460 1/20 0.39
▸ ACSS2 Q9NR19 1/20 0.39

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
SCHEMBL22021593 0.85 ACLY (0.58) ACLYCECR2FYNERN1
SCHEMBL22004311 0.82 ACLY (0.55) ACLYFYNERN1
SCHEMBL8648612 0.77 GRIK1 (0.65) ACLYCCR2GRIK1GRIK2TDP1
SCHEMBL22003789 0.76 ACLY (0.51) ACLYCCR2TDP1
SCHEMBL22004217 0.74 ACLY (1.00) ACLY
SCHEMBL18470548 0.73 GRIK1 (0.49) ACLYGRIK1GRIK2TDP1MAPT
SCHEMBL12472078 0.73 ERN1 (0.56) MAPTERN1
SCHEMBL17199126 0.72 GRIK1 (0.48) GRIK1GRIK2TDP1MAPT
SCHEMBL22004304 0.71 ACLY (0.63) ACLYCCR2
SCHEMBL22004299 0.71 ACLY (0.59) ACLY

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 1/4885CCR2 4510/4885GRIK1 1471/4885

“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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