SCHEMBL24476397

SCHEMBL24476397

CCCCCCCCC(C(=O)OCC)n1cnc2c(Cl)nc(Cl)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
P2RX7 Q99572 1/20 0.36
ADA P00813 5/20 0.36
PDE2A O00408 3/20 0.36
CYP3A4 P08684 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL29782935 0.77 ADA (0.38) ALDH1A1LMNATP53ADAPDE2A
SCHEMBL29782919 0.72 LMNA (0.38) LMNATP53P2RX7KDM4EMAPK1
SCHEMBL29601253 0.71 HDAC1 (0.44) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL21755891 0.71 ADA (0.43) ALDH1A1LMNAADAPDE2ACYP3A4
SCHEMBL2315389 0.70 CDK5 (0.47) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL29601208 0.69 HDAC1 (0.43) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL17078412 0.69 HDAC1 (0.51) P2RX7HDAC1HDAC2
SCHEMBL1913380 0.69 CDK1 (0.41) LMNATP53P2RX7
SCHEMBL30148781 0.69 CDK1 (0.41) LMNATP53P2RX7
SCHEMBL7022328 0.69 L3MBTL1 (0.47) ALDH1A1LMNAMAPTADACYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220168309-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF DISEASE INVOX PHARMA LIMITED (GB) 2022-06-02 US disclosed
US-20220168309-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF DISEASE INVOX PHARMA LIMITED (GB) 2022-06-02 US disclosed
CN-113645977-A Compounds, compositions and methods for treatment of disease F-星治疗公司 2021-11-12 CN 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-20220168309-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF DISEASE STING1, CGAS, MAVS ALDH1A1 4319/4885LMNA 2289/4885TP53 235/4885

“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.