SCHEMBL4858686

SCHEMBL4858686

N[C@H](CC(=O)O)c1nc(-c2ccccc2)c[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
S1PR1 P21453 1/20 0.38
CGAS Q8N884 1/20 0.37
ADORA1 P30542 2/20 0.36
FFAR1 O14842 1/20 0.36
PDGFRB P09619 1/20 0.36
PNP P00491 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
LTB4R Q15722 2/20 0.35
CTSA P10619 2/20 0.35
GABBR2 O75899 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35
MAP2K3 P46734 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL4857411 1.00 POLB (0.40) POLBMAPTKMT2AMEN1S1PR1
SCHEMBL6185098 0.82 POLB (0.40) POLBMAPTKMT2AMEN1CGAS
SCHEMBL19812532 0.82 P2RY12 (0.40) POLBMAPTPDGFRB
SCHEMBL14525072 0.82 SLC15A1 (0.44) KMT2AMEN1SMN1; SMN2
SCHEMBL14268347 0.82 SLC15A1 (0.44) KMT2AMEN1SMN1; SMN2
SCHEMBL14268348 0.82 SLC15A1 (0.44) KMT2AMEN1SMN1; SMN2
SCHEMBL1927631 0.79 ROCK2 (0.44) ADORA1PDGFRBADORA2A
SCHEMBL1927633 0.79 ROCK2 (0.44) ADORA1PDGFRBADORA2A
SCHEMBL1927628 0.79 ROCK2 (0.44) ADORA1PDGFRBADORA2A
Trifluoroacetic Acid SCHEMBL392970 0.79 ROCK2 (0.40) S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332517-B2 Derivatives of hydantoins, thiohydantoins, pyrimidinediones and thioxopyrimidinones, their preparation processes and their use as medicaments Société de Conseils de Recheres et d'Applications Scientifiques (SCRAS) (FR) 2008-02-19 US disclosed
US-7199145-B2 Derivatives of hydantoins, thiohydantoins, pyrimidinediones and thioxopyrimidinones, their preparation processes and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D' 'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S) (FR) 2007-04-03 US disclosed
US-20070021420-A1 New derivatives of hydantoins, thiohydantoins, pyrimidinediones and thioxopyrimidinones, their preparation processes and their use as medicaments SCRAS 2007-01-25 US disclosed
EP-1246807-B1 NOVEL HYDANTOIN, THIOHYDANTOIN, PYRIMIDINEDIONE AND THIOXOPYRIMIDINONE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES SOD CONSEILS RECH APPLIC (FR) 2005-11-02 EP disclosed
US-6759415-B1 Hydantoin thiohydantoin pyrimidinedione and thioxopyrimidinone derivatives preparation method and use as medicines SOCIETE DE CONSEILS DE RECHERCHES ET D' APPLICATIONS SCIENTIFIQUES (FR) 2004-07-06 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-20070021420-A1 New derivatives of hydantoins, thiohydantoins, pyrimidinediones and thioxopyrimidinones, their preparation processes and their use as medicaments ADCYAP1R1, HPRT1, ALPI POLB 3783/4885MAPT 4027/4885KMT2A 3752/4885

“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.