SCHEMBL6317201

SCHEMBL6317201

CCS[N+](=O)CCc1cnc2c(n1)c(=O)n(C)c(=O)n2C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
LMNA P02545 3/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 3/20 0.40
RXFP1 Q9HBX9 2/20 0.40
ALDH1A1 P00352 6/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
RECQL P46063 1/20 0.39
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.38
GLA P06280 1/20 0.38
JAK2 O60674 1/20 0.37
HTT P42858 1/20 0.37
PAX8 Q06710 1/20 0.37
POLB P06746 2/20 0.35
THRB P10828 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
SCHEMBL5437598 0.78 KDM4E (0.51) KDM4ELMNACASP1CASP7HSD17B10
SCHEMBL7528477 0.74 KDM4E (0.50) KDM4ELMNACASP1CASP7HSD17B10
SCHEMBL6323440 0.74 KDM4E (0.50) KDM4ELMNACASP1CASP7HSD17B10
SCHEMBL6323491 0.69 KDM4E (0.64) KDM4ELMNACASP1CASP7HSD17B10
SCHEMBL5445042 0.67 KDM4E (0.56) KDM4ELMNACASP1CASP7HSD17B10
SCHEMBL6315801 0.66 ALDH1A1 (0.51) KDM4ELMNACASP1CASP7HSD17B10
SCHEMBL5440119 0.66 ALDH1A1 (0.51) KDM4ELMNACASP1CASP7HSD17B10
SCHEMBL5439523 0.66 KDM4E (0.58) KDM4ELMNACASP1CASP7HSD17B10
Bromide SCHEMBL7529525 0.65 KDM4E (0.53) KDM4ELMNACASP1CASP7HSD17B10
SCHEMBL20182678 0.64 KDM4E (0.44) KDM4ELMNACASP1CASP7HSD17B10

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-6946465-B2 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2005-09-20 US claimed
US-20030236255-A1 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2003-12-25 US claimed
US-6946465-B2 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2005-09-20 US disclosed
US-20030236255-A1 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2003-12-25 US disclosed
EP-1187615-A2 IMMUNOSURPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES K.U. Leuven Research & Development (BE) 2002-03-20 EP disclosed
WO-2000045800-A2 IMMUNOSURPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2000-08-10 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-20030236255-A1 Immunosuppressive effects of pteridine derivatives TPMT, FKBP5, RRP15 KDM4E 1278/4885LMNA 3699/4885CASP1 2133/4885

“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.