SCHEMBL6389507

SCHEMBL6389507

Nc1ccc(C(=O)N(C(=O)c2ccc(NCc3cnc4nc(N)[nH]c(=O)c4n3)cc2)[C@@H](CCC(=O)O)C(=O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 3/20 0.69
▸ KDM4E B2RXH2 1/20 0.69
▸ MEN1 O00255 1/20 0.69
▸ ALDH1A1 P00352 1/20 0.69
▸ POLB P06746 1/20 0.69
▸ GAA P10253 1/20 0.69
▸ AKR1B1 P15121 1/20 0.69
▸ HPGD P15428 1/20 0.69
▸ TSHR P16473 1/20 0.69
▸ PTGS2 P35354 1/20 0.69
▸ KMT2A Q03164 1/20 0.69
▸ HSD17B10 Q99714 1/20 0.69
▸ TDP1 Q9NUW8 1/20 0.69
▸ ADORA3 P0DMS8 1/20 0.50
▸ DHFR P00374 9/20 0.46
▸ GART P22102 2/20 0.46
▸ ATIC P31939 1/20 0.46
▸ SLC19A1 P41440 2/20 0.42
▸ NOS1 P29475 2/20 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
SCHEMBL30076811 0.91 TYMS (0.65) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL8003250 0.91 TYMS (0.65) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL9853745 0.90 TYMS (0.71) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL2577686 0.89 TYMS (0.70) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL30293737 0.89 TYMS (0.70) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL440460 0.89 TYMS (0.70) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL7758365 0.88 TYMS (0.68) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL8375155 0.88 TYMS (0.68) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL30887631 0.88 TYMS (0.68) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL17732194 0.87 TYMS (0.67) TYMSKDM4EMEN1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6861514-B2 Nucleosidic and non-nucleosidic folate conjugates ISIS PHARMACEUTICALS, INC. (US) 2005-03-01 — — US disclosed
US-6528631-B1 Folates are conjugated to an oligonucleotide including at the 2'-, 3'-, 5'-, nucleobase and internucleotide linkage sites; improved transfer across cellular membranes; regioselective synthesis ISIS PHARMACEUTICALS, INC. 2003-03-04 — — US disclosed
US-20020049163-A1 Nucleosidic and non-nucleosidic folate conjugates ISIS PHARMACEUTICALS, INC. 2002-04-25 — — US disclosed
US-6335434-B1 FOR INCREASED MEMBRANE PERMEABILITY OF OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC., 2002-01-01 — — US disclosed
WO-1999066063-A9 NUCLEOSIDIC AND NON-NUCLEOSIDIC FOLATE CONJUGATES ISIS PHARMACEUTICALS INC (US) 2000-06-08 — — WO disclosed
WO-1999066063-A2 NUCLEOSIDIC AND NON-NUCLEOSIDIC FOLATE CONJUGATES ISIS PHARMACEUTICALS, INC. (US) 1999-12-23 — — 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-20020049163-A1 Nucleosidic and non-nucleosidic folate conjugates MTHFD1, DHFR, FOLR1 TYMS 9/4885KDM4E 3493/4885MEN1 1715/4885

“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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