SCHEMBL25256986

SCHEMBL25256986

CCc1c(C(=O)C(=O)O)ccc(Cl)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
HTT P42858 2/20 0.38
GFER P55789 1/20 0.38
ERCC5 P28715 3/20 0.37
FEN1 P39748 3/20 0.37
CLCN2 P51788 1/20 0.36
TSHR P16473 3/20 0.36
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
TP53 P04637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ABCC3 O15438 1/20 0.33
PLIN1 O60240 1/20 0.33
LMNA P02545 1/20 0.33
GSTA1 P08263 1/20 0.33
GSTP1 P09211 1/20 0.33
MAPT P10636 1/20 0.33
HSPD1 P10809 1/20 0.33

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
SCHEMBL3256019 0.85 TSHR (0.47) ALDH1A1CLCN2TSHRTP53KDM4E
SCHEMBL5443177 0.79 AKR1B1 (0.48) ALDH1A1HTTERCC5FEN1TSHR
SCHEMBL730928 0.78 GRIN2D (0.38) ALDH1A1HTTGFERKDM4ELMNA
SCHEMBL10397526 0.74 TSHR (0.47) ALDH1A1CLCN2TSHRTP53KDM4E
SCHEMBL8846631 0.73 TSHR (0.45) ALDH1A1CLCN2TSHRTP53KDM4E
SCHEMBL1704845 0.71 AKR1C4 (0.43) ALDH1A1HTTGFERERCC5FEN1
SCHEMBL7192003 0.71 AKR1B1 (0.44) CLCN2CYP2C9PTGS1PTGS2AKR1B1
SCHEMBL5413856 0.71 CYP3A4 (0.36) HTTTSHRMEN1LMNAMAPT
SCHEMBL1365495 0.70 CA1 (0.46) ALDH1A1CLCN2TSHRKDM4EMEN1
SCHEMBL2662577 0.70 CTRC (0.39) HTTCLCN2TSHRMAPTSLC6A4

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-20230212172-A1 ARYLACETAMIDE ANALOGS OF PIPERAZINE-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINES SAINT LOUIS UNIVERSITY 2023-07-06 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-20230212172-A1 ARYLACETAMIDE ANALOGS OF PIPERAZINE-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINES AADAC, PAICS, PNPO ALDH1A1 240/4885HTT 2429/4885GFER 1248/4885

“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.