SCHEMBL23005121

SCHEMBL23005121

Cc1cc([N+](=O)[O-])cnc1N(C=O)[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
GAA P10253 4/20 0.35
HTT P42858 2/20 0.35
MAPT P10636 5/20 0.32
POLB P06746 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
EPOR P19235 1/20 0.30
GLA P06280 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL23005136 0.87 GAA (0.34) ALDH1A1GAAHTTMAPTPOLB
SCHEMBL23005260 0.84 ALDH1A1 (0.50) ALDH1A1GAAHTTMAPTKMT2A
SCHEMBL23005198 0.82 EPOR (0.32) EPOR
SCHEMBL23005244 0.76 FPR2 (0.38) ALDH1A1GAAHTTMAPTPOLB
SCHEMBL23005127 0.74 MAPT (0.38) ALDH1A1GAAMAPTPOLBKMT2A
SCHEMBL23005211 0.73 MTHFD1 (0.31) EPOR
SCHEMBL15544924 0.72 ALDH1A1 (0.48) ALDH1A1GAAHTTMAPTKMT2A
SCHEMBL15544928 0.72 ALDH1A1 (0.48) ALDH1A1GAAHTTMAPTKMT2A
SCHEMBL29231834 0.72 GLA (0.39) ALDH1A1MAPTPOLBL3MBTL1KMT2A
SCHEMBL23005116 0.71 FPR2 (0.31) EPOR

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
EP-3781554-B1 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY THOMAS HELLEDAYS STIFTELSE FOER MEDICINSK FORSKNING (SE) 2023-06-28 EP disclosed
US-20230110478-A1 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2023-04-13 US disclosed
US-20210052587-A1 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY MEDICINSK FORSKNING (SE) 2021-02-25 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 (2 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-20230110478-A1 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY IL2, THPO, IL6 ALDH1A1 254/4885GAA 2994/4885HTT 3845/4885
US-20210052587-A1 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE DERIVATIVES AND USE THEREOF IN THERAPY IL2, THPO, IL6 ALDH1A1 199/4885GAA 3099/4885HTT 3706/4885

“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.