SCHEMBL20910478

SCHEMBL20910478

Nc1nc2c(c(=O)[nH]1)N(C=O)[C@@H](CNc1ccc(C(=O)NCCCC(=O)O)cc1)CN2

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 1/20 0.74
▸ LMNA P02545 1/20 0.66
▸ MTHFD1 P11586 2/20 0.54
▸ SOST Q9BQB4 1/20 0.48
▸ MTHFD2 P13995 2/20 0.44
▸ FPGS Q05932 2/20 0.44
▸ TYMS P04818 1/20 0.40
▸ AKR1B1 P15121 1/20 0.39
▸ GART P22102 4/20 0.39
▸ ATIC P31939 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
SCHEMBL24179695 1.00 DHFR (0.74) DHFRLMNAMTHFD1SOSTMTHFD2
SCHEMBL24179667 0.89 MTHFD1 (0.65) DHFRLMNAMTHFD1SOSTMTHFD2
SCHEMBL18499953 0.89 MTHFD1 (0.65) DHFRLMNAMTHFD1SOSTMTHFD2
SCHEMBL17500357 0.86 DHFR (0.72) DHFRLMNAMTHFD1SOSTMTHFD2
SCHEMBL17500359 0.86 DHFR (0.72) DHFRLMNAMTHFD1SOSTMTHFD2
SCHEMBL3408027 0.86 DHFR (0.72) DHFRLMNAMTHFD1SOSTMTHFD2
Folinic Acid SCHEMBL21498299 0.85 DHFR (1.00) DHFRLMNAMTHFD1SOSTMTHFD2
SCHEMBL18402509 0.85 DHFR (0.83) DHFRLMNAMTHFD1SOSTMTHFD2
Leucovorin SCHEMBL36113 0.85 DHFR (1.00) DHFRLMNAMTHFD1SOSTMTHFD2
Leucovorin SCHEMBL3031362 0.85 DHFR (1.00) DHFRLMNAMTHFD1SOSTMTHFD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190111059-A1 COMPOSITIONS AND METHODS FOR TREATING AUTISM SPECTRUM DISORDER MARINUS PHARMACEUTICALS, INC. (US) 2019-04-18 — — 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-20190111059-A1 COMPOSITIONS AND METHODS FOR TREATING AUTISM SPECTRUM DISORDER SLC19A1, FOLR2, FOLR1 DHFR 7/4885LMNA 3795/4885MTHFD1 23/4885

“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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