SCHEMBL24829628

SCHEMBL24829628

C[C@@]1(F)C(n2cnc3c(Cl)nc(N)nc32)O[C@H](COC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NT5E P21589 3/20 0.44
HINT1 P49773 2/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PNP P00491 1/20 0.38
P2RY11 Q96G91 1/20 0.38
ADORA2A P29274 1/20 0.37
ABCB1 P08183 1/20 0.36

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
SCHEMBL930787 1.00 NT5E (0.44) NT5EHINT1LMNAALDH1A1TP53
SCHEMBL930789 1.00 NT5E (0.44) NT5EHINT1LMNAALDH1A1TP53
SCHEMBL6365090 1.00 NT5E (0.44) NT5EHINT1LMNAALDH1A1TP53
SCHEMBL30378647 1.00 NT5E (0.44) NT5EHINT1LMNAALDH1A1TP53
SCHEMBL19777955 1.00 NT5E (0.44) NT5EHINT1LMNAALDH1A1TP53
SCHEMBL930786 1.00 NT5E (0.44) NT5EHINT1LMNAALDH1A1TP53
SCHEMBL14652919 1.00 NT5E (0.44) NT5EHINT1LMNAALDH1A1TP53
SCHEMBL17453217 1.00 NT5E (0.44) NT5EHINT1LMNAALDH1A1TP53
SCHEMBL2484115 0.94 NT5E (0.44) NT5EHINT1LMNAALDH1A1TP53
SCHEMBL2484116 0.94 NT5E (0.44) NT5EHINT1LMNAALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542505-B1 Substituted RIG-I agonists: compositions and methods thereof MERCK SHARP & DOHME LLC (US) 2023-01-03 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 (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-11542505-B1 Substituted RIG-I agonists: compositions and methods thereof MAVS, TLR3, DDX18 NT5E 562/4885HINT1 2123/4885LMNA 2612/4885

“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.