SCHEMBL21878014

SCHEMBL21878014

COc1ccc(C(OCc2nc3cc(Cl)cnc3n2CCO)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
TBXA2R P21731 2/20 0.38
RAB9A P51151 3/20 0.37
TSHR P16473 1/20 0.37
ENPP2 Q13822 3/20 0.37
MAPT P10636 4/20 0.37
NPC1 O15118 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
BRD4 O60885 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL21878159 0.86 RAB9A (0.39) TP53SMN1; SMN2LMNATBXA2RRAB9A
SCHEMBL21878113 0.86 HPGDS (0.40) TP53SMN1; SMN2LMNAENPP2MAPT
SCHEMBL21877995 0.85 CYP1A2 (0.43) TP53SMN1; SMN2LMNARAB9ATSHR
SCHEMBL21877979 0.83 TP53 (0.39) TP53SMN1; SMN2LMNARAB9ATSHR
SCHEMBL21878125 0.81 CYP3A4 (0.39) TP53SMN1; SMN2LMNARAB9ATSHR
SCHEMBL21877984 0.80 USP2 (0.32) TP53SMN1; SMN2LMNATBXA2RRAB9A
SCHEMBL21878012 0.80 CYP1A2 (0.42) TP53SMN1; SMN2LMNARAB9ATSHR
SCHEMBL21878063 0.79 SLC6A11 (0.38) TP53SMN1; SMN2LMNARAB9ATSHR
SCHEMBL21878062 0.78 RAB9A (0.43) TP53SMN1; SMN2LMNATBXA2RRAB9A
SCHEMBL21877989 0.77 CYP1A2 (0.42) TP53SMN1; SMN2LMNARAB9ATSHR

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
EP-3873484-B1 NOVEL STING AGONISTS VENENUM BIODESIGN LLC (US) 2023-08-23 EP disclosed
US-20220048936-A1 NOVEL STING AGONISTS Venenum Biodesign, LLC (US) 2022-02-17 US disclosed
US-11161864-B2 Sting agonists Venenum Biodesign, LLC (US) 2021-11-02 US disclosed
US-20200131209-A1 NOVEL STING AGONISTS Venenum Biodesign, LLC 2020-04-30 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 (3 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-20200131209-A1 NOVEL STING AGONISTS STING1, CGAS, TBK1 TP53 1417/4885SMN1; SMN2 1607/4885LMNA 1718/4885
US-11161864-B2 Sting agonists STING1, IRF3, CGAS TP53 1117/4885SMN1; SMN2 1544/4885LMNA 1402/4885
US-20220048936-A1 NOVEL STING AGONISTS STING1, IRF3, CGAS TP53 1286/4885SMN1; SMN2 1613/4885LMNA 1771/4885

“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.