SCHEMBL2788440

SCHEMBL2788440

C#CCNc1ncnc2c1c(/C(N)=N/O)cn2[C@@H]1OC(CO)C(O)[C@H]1O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 3/20 0.77
▸ TP53 P04637 2/20 0.77
▸ STAT6 P42226 2/20 0.77
▸ SIGMAR1 Q99720 4/20 0.54
▸ TMEM97 Q5BJF2 2/20 0.54
▸ ADK P55263 6/20 0.53
▸ PAX8 Q06710 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ HTT P42858 2/20 0.53
▸ DOT1L Q8TEK3 1/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ GALR3 O60755 1/20 0.53
▸ S1PR4 O95977 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ S1PR1 P21453 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ HTR2B P41595 4/20 0.48
▸ ADRA2C P18825 1/20 0.48
▸ OPRK1 P41145 1/20 0.48
▸ HTR6 P50406 1/20 0.48

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
SCHEMBL2788446 1.00 HIF1A (0.77) HIF1ATP53STAT6SIGMAR1TMEM97
SCHEMBL3658125 0.87 HIF1A (1.00) HIF1ATP53STAT6SIGMAR1TMEM97
SCHEMBL3658127 0.87 HIF1A (1.00) HIF1ATP53STAT6SIGMAR1TMEM97
SCHEMBL2784929 0.87 HIF1A (0.75) HIF1ATP53STAT6SIGMAR1TMEM97
SCHEMBL2784937 0.87 HIF1A (0.75) HIF1ATP53STAT6SIGMAR1TMEM97
SCHEMBL13021233 0.87 HIF1A (0.75) HIF1ATP53STAT6SIGMAR1TMEM97
Hydrochloric Acid SCHEMBL2386489 0.86 HIF1A (0.98) HIF1ATP53STAT6SIGMAR1TMEM97
SCHEMBL2786328 0.86 HIF1A (0.74) HIF1ATP53STAT6SIGMAR1TMEM97
SCHEMBL2786320 0.86 HIF1A (0.74) HIF1ATP53STAT6SIGMAR1TMEM97
SCHEMBL2788442 0.85 HIF1A (0.57) HIF1ATP53STAT6SIGMAR1TMEM97

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
WO-2010135520-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTION CHIMERIX, INC. (US) 2010-11-25 — — WO disclosed
US-20100297079-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTION CHIMERIX, INC. (US) 2010-11-25 — — 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-20100297079-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTION HAVCR2, EIF2AK2, OAT HIF1A 247/4885TP53 2531/4885STAT6 1884/4885

“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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