SCHEMBL13058153

SCHEMBL13058153

O=c1[nH]cnc2c1ncn2/C=C1\CC1(CO)CO

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.45
▸ HPRT1 P00492 11/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ALB P02768 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ PNP P00491 3/20 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
Filociclovir SCHEMBL1337940 0.82 TK1 (0.49) ADORA3HPRT1ALDH1A1LMNAPNP
Filociclovir SCHEMBL1335812 0.82 TK1 (0.49) ADORA3HPRT1ALDH1A1LMNAPNP
Filociclovir SCHEMBL1335817 0.82 TK1 (0.49) ADORA3HPRT1ALDH1A1LMNAPNP
SCHEMBL1336821 0.77 KDM4E (0.52) ADORA3LMNA
SCHEMBL1338091 0.77 KDM4E (0.52) ADORA3LMNA
SCHEMBL1338323 0.74 HDAC6 (0.38) —
SCHEMBL1337381 0.74 HDAC6 (0.38) —
SCHEMBL1337383 0.74 HDAC6 (0.38) —
SCHEMBL1337727 0.73 CDK1 (0.43) ADORA3LMNA
SCHEMBL21340782 0.73 PNP (0.43) ADORA3HPRT1ALDH1A1LMNAPNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298256-A1 ANTIVIRAL COMPOUNDS EPIPHANY BIOSCIENCES, INC. 2010-11-25 — — US disclosed
US-20100298256-A1 ANTIVIRAL COMPOUNDS EPIPHANY BIOSCIENCES, INC. 2010-11-25 — — US disclosed
WO-2009085267-A1 ANTIVIRAL COMPOUNDS EPIPHANY BIOSCIENCES (US) 2009-07-09 — — 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 (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-20100298256-A1 ANTIVIRAL COMPOUNDS MTAP, PNP, TYMP ADORA3 689/4885HPRT1 26/4885ALDH1A1 1707/4885

“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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