SCHEMBL23756593

SCHEMBL23756593

Cc1c(C(=O)O)cc(O)c(I)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.42
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
THRB P10828 1/20 0.40
HMGB1 P09429 1/20 0.39
CXCL12 P48061 1/20 0.39
MYC P01106 2/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
MCL1 Q07820 2/20 0.38
SELL P14151 2/20 0.38
SELP P16109 2/20 0.38
TP53 P04637 2/20 0.38
PDE4A P27815 1/20 0.37
BLVRB P30043 1/20 0.37
KDR P35968 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL23600935 0.86 CSNK2A1 (0.44) CSNK2A1KDM4EMEN1KMT2ATDP1
SCHEMBL39512 0.81 CSNK2A1 (0.47) CSNK2A1KDM4EMEN1KMT2ATDP1
Water SCHEMBL28507409 0.79 CSNK2A1 (0.45) CSNK2A1KDM4EMEN1KMT2ATDP1
Hydrogen Sulfide SCHEMBL27850210 0.78 CSNK2A1 (0.44) CSNK2A1KDM4EMEN1KMT2ATDP1
SCHEMBL17892935 0.77 CA1 (0.40) CSNK2A1KDM4EMEN1KMT2ATDP1
SCHEMBL2456581 0.77 CSNK2A1 (0.47) CSNK2A1KDM4EMEN1KMT2ATDP1
SCHEMBL18281063 0.76 TP53 (0.45) CSNK2A1KDM4EMEN1KMT2ATDP1
SCHEMBL9744894 0.74 CA1 (0.41) CSNK2A1KDM4EMEN1KMT2ATDP1
SCHEMBL27534718 0.73 LDHA (0.44) CSNK2A1KDM4EMEN1KMT2ATDP1
Propionic Acid SCHEMBL28409072 0.73 HMGB1 (0.41) CSNK2A1KDM4EMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12473304-B2 Heterocyclic PAD4 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-11-18 US disclosed
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-06-01 US disclosed
EP-4103559-A1 HETEROCYCLIC PAD4 INHIBITORS Bristol-Myers Squibb Company (US) 2022-12-21 EP disclosed
CN-115348961-A Heterocyclic PAD4 inhibitors 百时美施贵宝公司 2022-11-15 CN disclosed
WO-2021163254-A1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-19 WO 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-12473304-B2 Heterocyclic PAD4 inhibitors PADI6, PADI4, PADI1 CSNK2A1 2250/4885KDM4E 195/4885MEN1 2566/4885
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS PADI4, PADI2, PADI6 CSNK2A1 1816/4885KDM4E 300/4885MEN1 3289/4885

“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.