SCHEMBL23228201

SCHEMBL23228201

Nn1cnc2c(=O)[nH]c(Cl)cc21

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
XDH P47989 6/20 0.36
ALDH1A1 P00352 1/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
PNP P00491 2/20 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
SCHEMBL24239185 0.81 PNP (0.46) XDHALDH1A1THRBL3MBTL1PNP
SCHEMBL23228226 0.76 BRD4 (0.39) ALDH1A1HSP90AA1HSP90AB1PNP
SCHEMBL23228197 0.76 SMN1; SMN2 (0.44) XDHALDH1A1L3MBTL1
SCHEMBL24236963 0.69 HPGD (0.46) XDHALDH1A1THRBL3MBTL1HSP90AA1
SCHEMBL22326779 0.68 ALDH1A1 (0.34) XDHALDH1A1THRBL3MBTL1
Hydrochloric Acid SCHEMBL7296125 0.64 PNP (0.40) XDHALDH1A1THRBL3MBTL1PNP
SCHEMBL24499589 0.62 XDH (0.40) XDHALDH1A1THRBL3MBTL1PNP
SCHEMBL18519852 0.62 PNP (0.45) XDHALDH1A1PNP
SCHEMBL23679550 0.62 PNP (0.45) XDHPNP
SCHEMBL22381533 0.60 PNP (0.42) XDHALDH1A1PNP

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
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-06-06 US disclosed
US-20210106607-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-15 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 (2 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-20210106607-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE STING1, TLR9, CGAS XDH 1435/4885ALDH1A1 3598/4885THRB 3886/4885
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide STING1, TLR9, CGAS XDH 1435/4885ALDH1A1 3598/4885THRB 3886/4885

“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.