SCHEMBL3600979

SCHEMBL3600979

O=C1OC(c2ccc(O)c(I)c2)(c2ccc(O)c(I)c2)c2ccc3ccccc3c21

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHFR P00374 10/20 0.74
TYMS P04818 4/20 0.74
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL3605275 0.85 DHFR (0.74) DHFRTYMSMEN1LMNAPOLB
SCHEMBL3607641 0.81 DHFR (1.00) DHFRTYMSMEN1LMNAMAPT
SCHEMBL649476 0.72 DHFR (0.67) DHFRTYMSMEN1LMNAPOLB
SCHEMBL4635984 0.69 DHFR (0.59) DHFRTYMSMEN1LMNAMAPT
SCHEMBL16283360 0.68 LMNA (0.61) DHFRTYMSMEN1LMNAPOLB
SCHEMBL11443116 0.64 TYMS (0.58) DHFRTYMSMEN1LMNAPOLB
SCHEMBL3654713 0.62 LMNA (0.76) DHFRTYMSMEN1LMNAPOLB
SCHEMBL30669861 0.62 LMNA (0.76) DHFRTYMSMEN1LMNAPOLB
SCHEMBL16283365 0.62 LMNA (0.61) DHFRTYMSMEN1LMNAPOLB
SCHEMBL29027 0.62 PTPN22 (0.65) MEN1POLBMAPTKMT2ATDP1

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-20100048692-A1 Naphthofuranone Derivatives as Specific Inhibitors of Thymidylate Synthases TYDOCKPHARMA S.R.L. (IT) 2010-02-25 US claimed
EP-2044047-A1 NAPHTHOFURANONE DERIVATIVES AS SPECIFIC INHIBITORS OF THYMIDYLATE SYNTHASES TydockPharma S.r.l. (IT) 2009-04-08 EP claimed
WO-2008003510-A1 NAPHTHOFURANONE DERIVATIVES AS SPECIFIC INHIBITORS OF THYMIDYLATE SYNTHASES TYDOCKPHARMA S.R.L. (IT) 2008-01-10 WO claimed

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-20100048692-A1 Naphthofuranone Derivatives as Specific Inhibitors of Thymidylate Synthases TYMS, TYMP, DNTT DHFR 12/4885TYMS 1/4885MEN1 1782/4885

“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.