SCHEMBL18522117

SCHEMBL18522117

[N-]=[N+]=N[C@H]1[C@@H](O)[C@H](n2nnc3c(NC(=O)c4ccccc4)ncnc32)O[C@@H]1CO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ ADORA1 P30542 6/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ ADK P55263 2/20 0.40
▸ LMNA P02545 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ NPY1R P25929 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPY2R P49146 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SLC29A1 Q99808 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL18510880 0.93 ADORA3 (0.38) ALDH1A1HIF1AADORA1ADORA3ADORA2A
SCHEMBL6421558 0.87 ADORA1 (0.50) ALDH1A1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL24687189 0.87 ADORA1 (0.50) ALDH1A1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL15953489 0.86 ADORA1 (0.56) ALDH1A1HIF1AADORA1ADORA3ADORA2A
SCHEMBL25496497 0.86 ADORA1 (0.56) ALDH1A1HIF1AADORA1ADORA3ADORA2A
SCHEMBL15953492 0.86 ADORA1 (0.56) ALDH1A1HIF1AADORA1ADORA3ADORA2A
SCHEMBL18490487 0.83 ADORA1 (0.45) ALDH1A1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL20782879 0.81 ALDH1A1 (0.64) ALDH1A1HIF1AADORA1ADORA3ADORA2A
SCHEMBL25496518 0.79 P2RY12 (0.52) ADORA1ADORA3ADORA2AADORA2BP2RY12
SCHEMBL25496470 0.79 ADORA1 (0.49) ALDH1A1HIF1AADORA1ADORA3ADORA2A

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-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-16 — — 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-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 ALDH1A1 4183/4885HIF1A 2562/4885ADORA1 32/4885

“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.

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