SCHEMBL22005121

SCHEMBL22005121

CCCC(C)c1cc(C#N)cc(Cl)c1O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.37
ALB P02768 2/20 0.37
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GPR35 Q9HC97 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
ACLY P53396 1/20 0.32
CRHR1 P34998 1/20 0.31
FASN P49327 1/20 0.30
CYP19A1 P11511 1/20 0.30
SLC6A3 Q01959 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30

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
SCHEMBL22004402 0.80 GABRA1 (0.44) MEN1KMT2AACLYGABRA1GABRB1
SCHEMBL20963140 0.78 AR (0.37) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL21883610 0.76 IDO1 (0.34) ACLYGABRA1GABRB1
SCHEMBL23996387 0.75 TTR (0.45) TTRALBMEN1KMT2AGPR35
Butyric Acid SCHEMBL10763142 0.72 FFAR3 (0.42) TTRALBMEN1KMT2AGPR35
SCHEMBL4897669 0.72 TTR (0.52) TTRALBMEN1KMT2AGPR35
SCHEMBL136860 0.72 TTR (0.52) TTRALBMEN1KMT2AGPR35
Water SCHEMBL10768309 0.72 TTR (0.52) TTRALBMEN1KMT2AGPR35
SCHEMBL22005122 0.72 LMNA (0.44) TTRMEN1KMT2AACLYSLC6A3
SCHEMBL28628208 0.72 ESR1 (0.36) TTRALBMEN1KMT2AGPR35

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 TTR 4425/4885ALB 3031/4885MEN1 3767/4885

“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.