SCHEMBL9662569

SCHEMBL9662569

Nc1nc2c(ncn2COCC=O)c(=O)[nH]1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 8/20 0.71
▸ BLM P54132 2/20 0.71
▸ HBB P68871 2/20 0.71
▸ USP2 O75604 1/20 0.71
▸ TSHR P16473 1/20 0.71
▸ EDNRA P25101 1/20 0.71
▸ HTR2A P28223 1/20 0.71
▸ RECQL P46063 1/20 0.71
▸ HSD17B10 Q99714 1/20 0.71
▸ HPRT1 P00492 6/20 0.64
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ LMNA P02545 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ NFKB1 P19838 1/20 0.61
▸ VCP P55072 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ HIF1A Q16665 1/20 0.61
▸ POLG P54098 1/20 0.58

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
Water SCHEMBL9663155 0.99 PNP (0.70) PNPBLMHBBUSP2TSHR
SCHEMBL17617332 0.88 POLB (0.63) PNPBLMHBBUSP2TSHR
SCHEMBL29370760 0.87 PNP (0.87) PNPBLMHBBUSP2TSHR
SCHEMBL97290 0.85 PNP (0.72) PNPBLMHBBUSP2TSHR
SCHEMBL9662953 0.85 PNP (0.69) PNPBLMHBBUSP2TSHR
SCHEMBL9662960 0.85 PNP (0.69) PNPBLMHBBUSP2TSHR
SCHEMBL5443285 0.84 PNP (0.74) PNPBLMHBBUSP2TSHR
SCHEMBL1767748 0.84 PNP (0.74) PNPBLMHBBUSP2TSHR
SCHEMBL8842855 0.84 PNP (0.74) PNPBLMHBBUSP2TSHR
Acyclovir SCHEMBL3664893 0.83 PNP (1.00) PNPBLMHBBUSP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0173624-B1 4-(GUANIN-9-YL) BUTANALS AND ANTIVIRAL COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1992-04-08 — — EP claimed
US-4755516-A Antiviral compounds MERCK & CO., INC. (US) 1988-07-05 — — US claimed
EP-0173624-A2 4-(guanin-9-yl) butanals and antiviral compositions containing them MERCK & CO. INC. (US) 1986-03-05 — — EP claimed
EP-2679584-B1 CLATHRATE COMPLEX OF CYCLODEXTRIN OR ARABINOGALACTAN WITH 9-PHENYL-SYM-OCTAHYDROSELENOXANTHENE PDSK LTD COMPANY L (RU) 2016-08-03 — — EP disclosed
US-20140023713-A1 CLATHRATE COMPLEX OF CYCLODEXTRIN OR ARABINOGALACTAN WITH 9-PHENYL-SYM-OCTA-HYDROSELENOXANTENE TSYB ANATOLIY FEDOROVICH (RU) 2014-01-23 — — US disclosed
EP-0173624-B1 4-(GUANIN-9-YL) BUTANALS AND ANTIVIRAL COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1992-04-08 — — EP disclosed
US-4755516-A Antiviral compounds MERCK & CO., INC. (US) 1988-07-05 — — US disclosed
EP-0173624-A2 4-(guanin-9-yl) butanals and antiviral compositions containing them MERCK & CO. INC. (US) 1986-03-05 — — EP 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-20140023713-A1 CLATHRATE COMPLEX OF CYCLODEXTRIN OR ARABINOGALACTAN WITH 9-PHENYL-SYM-OCTA-HYDROSELENOXANTENE OSTC, SI, ABCG2 PNP 896/4885BLM 3483/4885HBB 514/4885

“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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