SCHEMBL25759220

SCHEMBL25759220

O=c1[nH]cnc2cc(Cl)c(Br)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 3/20 0.56
PARP1 P09874 12/20 0.56
PIM1 P11309 3/20 0.56
CHEK1 O14757 2/20 0.56
ALDH1A1 P00352 1/20 0.56
AKT1 P31749 1/20 0.56
FLT3 P36888 1/20 0.56
PIM3 Q86V86 1/20 0.56
RPS6KA3 P51812 2/20 0.47
MKNK1 Q9BUB5 1/20 0.46
PDPK1 O15530 1/20 0.44
CA12 O43570 1/20 0.44
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA9 Q16790 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
AURKA O14965 1/20 0.44
DAPK3 O43293 1/20 0.44
JAK2 O60674 1/20 0.44
PRKD3 O94806 1/20 0.44

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
SCHEMBL10310503 0.93 PARP1 (0.56) IP6K1PARP1PIM1CHEK1ALDH1A1
SCHEMBL29365735 0.93 PARP1 (0.56) IP6K1PARP1PIM1CHEK1ALDH1A1
SCHEMBL9541195 0.85 PARP1 (0.62) IP6K1PARP1PIM1CHEK1ALDH1A1
SCHEMBL4188259 0.79 IP6K1 (0.56) IP6K1PARP1PIM1CHEK1ALDH1A1
SCHEMBL15890147 0.79 PARP1 (0.56) IP6K1PARP1PIM1CHEK1ALDH1A1
SCHEMBL2266424 0.79 IP6K1 (0.56) IP6K1PARP1PIM1CHEK1ALDH1A1
SCHEMBL8978926 0.77 PARP1 (0.53) IP6K1PARP1PIM1CHEK1ALDH1A1
SCHEMBL25759443 0.77 IP6K1 (0.54) IP6K1PARP1PIM1CHEK1ALDH1A1
SCHEMBL4005077 0.76 IP6K1 (0.56) IP6K1PARP1PIM1CHEK1ALDH1A1
SCHEMBL11960727 0.76 PARP1 (0.56) IP6K1PARP1PIM1CHEK1ALDH1A1

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-20230192614-A1 METHOD FOR PREPARATION OF TRANS-N-BENZYLOXYCARBONYL-(3-HYDROXY-2-PIPERIDINYL)-2-PROPANONE AS INTERMEDIATE OF HALOFUGINONE CHENGDA PHARMACEUTICALS CO., LTD. (CN) 2023-06-22 US disclosed
WO-2023065610-A1 PREPARATION METHOD FOR HALOFUGINONE INTERMEDIATE TRANS-N-BENZYLOXYCARBONYL-(3-HYDROXY-2-PIPERIDINYL)-2-ACETONE 诚达药业股份有限公司 2023-04-27 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 (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-20230192614-A1 METHOD FOR PREPARATION OF TRANS-N-BENZYLOXYCARBONYL-(3-HYDROXY-2-PIPERIDINYL)-2-PROPANONE AS INTERMEDIATE OF HALOFUGINONE TALDO1, RPL22, RPS20 IP6K1 887/4885PARP1 3856/4885PIM1 4181/4885

“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.