SCHEMBL21645366

SCHEMBL21645366

O=C(Nc1ccccc1)c1cc(Cl)cc2[nH]c(C(F)(F)F)nc12

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGES O14684 11/20 0.52
XPO1 O14980 1/20 0.51
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
PARP1 P09874 1/20 0.46
TMPRSS4 Q9NRS4 1/20 0.46
DHODH Q02127 1/20 0.46

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
SCHEMBL30899214 1.00 PTGES (0.52) PTGESXPO1KDM4EHPGDDRD2
SCHEMBL19064507 0.90 P2RX1 (0.55) PTGESTMPRSS4
SCHEMBL29577337 0.90 P2RX1 (0.55) PTGESTMPRSS4
SCHEMBL21645628 0.86 PTGES (0.54) PTGESKDM4ETMPRSS4
SCHEMBL30899219 0.86 PTGES (0.54) PTGESKDM4ETMPRSS4
SCHEMBL21645373 0.85 MAPT (0.47) PTGES
SCHEMBL30899218 0.85 MAPT (0.47) PTGES
SCHEMBL21645367 0.82 PTGES (0.52) PTGES
SCHEMBL19064517 0.81 KDM4E (0.61) KDM4EHPGDDRD2DRD4DRD3
SCHEMBL2370001 0.77 PARP1 (0.62) KDM4EHPGDDRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11987579-B2 Niclosamide analogues and therapeutic use thereof DUKE UNIVERSITY (US) 2024-05-21 US disclosed
US-20210179615-A1 NICLOSAMIDE ANALOGUES AND THERAPEUTIC USE THEREOF DUKE UNIVERSITY 2021-06-17 US disclosed
US-20210179615-A1 NICLOSAMIDE ANALOGUES AND THERAPEUTIC USE THEREOF DUKE UNIVERSITY 2021-06-17 US disclosed
WO-2020028392-A1 NICLOSAMIDE ANALOGUES AND THERAPEUTIC USE THEREOF DUKE UNIVERSITY (US) 2020-02-06 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-20210179615-A1 NICLOSAMIDE ANALOGUES AND THERAPEUTIC USE THEREOF DNER, SFRP1, WNT1 PTGES 1773/4885XPO1 4272/4885KDM4E 1047/4885
US-11987579-B2 Niclosamide analogues and therapeutic use thereof DNER, SFRP1, WNT1 PTGES 1773/4885XPO1 4272/4885KDM4E 1047/4885

“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.