SCHEMBL4607260

SCHEMBL4607260

Nc1nc(O)c2nc(CN(C=O)c3ccc(C(=O)O)cc3)cnc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 11/20 0.51
KDM4E B2RXH2 1/20 0.42
TLR4 O00206 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
TYMS P04818 1/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42
HMGB1 P09429 1/20 0.42
MAPT P10636 1/20 0.42
FOLR2 P14207 1/20 0.42
FOLR1 P15328 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
GART P22102 1/20 0.42
APEX1 P27695 1/20 0.42
CASP1 P29466 1/20 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
SCHEMBL14417312 0.91 DHFR (0.61) DHFRKDM4ETLR4MEN1ALDH1A1
SCHEMBL13529957 0.84 DHFR (0.60) DHFRKDM4ETLR4MEN1ALDH1A1
SCHEMBL3330977 0.82 NOS1 (0.50) DHFRKDM4EMEN1ALDH1A1TYMS
SCHEMBL29677940 0.80 DHFR (0.46) DHFRKDM4ETLR4MEN1ALDH1A1
SCHEMBL12867928 0.80 DHFR (0.46) DHFRKDM4ETLR4MEN1ALDH1A1
SCHEMBL24344111 0.76 DHFR (0.51) DHFRKDM4ETLR4MEN1ALDH1A1
SCHEMBL221621 0.76 DHFR (0.71) DHFRKDM4ETLR4MEN1ALDH1A1
SCHEMBL29658170 0.76 DHFR (0.71) DHFRKDM4ETLR4MEN1ALDH1A1
Pteroic Acid SCHEMBL245982 0.75 DHFR (0.67) DHFRKDM4EMEN1ALDH1A1TYMS
Hydrochloric Acid SCHEMBL1230259 0.75 DHFR (0.70) DHFRKDM4ETLR4MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660093-B1 AMMONIUM SALTS OF ORNITHINE DERIVATIVES FOR TREATING INFLAMMATORY DISEASES HANA BIOSCIENCES INC (US) 2008-07-16 EP disclosed
US-20070219204-A1 Pharmaceutically active ornitihine derivatives, ammonium salts thereof and methods of making same DANA-FARBER CANCER INSTITUTE 2007-09-20 US disclosed
EP-1660093-A1 AMMONIUM SALTS OF ORNITHINE DERIVATIVES FOR TREATING INFLAMMATORY DISEASES Hana Biosciences, Inc. (US) 2006-05-31 EP disclosed
US-20060079531-A1 Pharmaceutically active ornithine derivatives, ammonium salts thereof and methods of making same DANA-FARBER CANCER INSTITUTE 2006-04-13 US disclosed
EP-1638973-A1 PHARMACEUTICALLY ACTIVE ORNITHINE DERIVATIVES, AMMONIUM SALTS THEREOF AND METHODS OF MAKING SAME DANA-FARBER CANCER INSTITUTE (US) 2006-03-29 EP disclosed
US-6989386-B2 Pharmaceutically active ornithine derivatives, ammonium salts thereof and methods of making same DANA-FARBER CANCER INSTITUTE (US) 2006-01-24 US disclosed
WO-2005016350-A1 AMMONIUM SALTS OF ORNITHINE DERIVATIVES FOR TREATING INFLAMMATORY DISEASES HANA BIOSCIENCES, INC. (US) 2005-02-24 WO disclosed
US-20050032807-A1 Methods of treating inflammatory diseases with ammonium salts of ornitihine derivatives HANA BIOSCIENCES, INC. 2005-02-10 US disclosed
WO-2004094427-A1 PHARMACEUTICALLY ACTIVE ORNITHINE DERIVATIVES, AMMONIUM SALTS THEREOF AND METHODS OF MAKING SAME DANA-FARBER CANCER INSTITUTE (US) 2004-11-04 WO disclosed
US-20040072837-A1 Pharmaceutically active ornithine derivatives, ammonium salts thereof and methods of making same NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2004-04-15 US disclosed
WO-2001056385-A1 METHODS AND COMPOSITIONS FOR ENHANCING FORMYLTETRAHYDROPTEROYLPOLYGLUTAMATE IN PLANTS NONOMURA ARTHUR M (US) 2001-08-09 WO disclosed
US-6121195-A STIMULATING CARBON FIXATION AND INCREASING THE GROWTH OF PLANTS BY ENHANCING THE AVAILABILITY OF C1-TETRAHYDROFOLATE IN THE LEAVES OF A PLANT NONOMURA ARTHUR M (US) 2000-09-19 US disclosed
EP-0813510-A4 METHODS AND COMPOSITIONS FOR ENHANCING FORMYLTETRAHYDROPTEROYLPOLYGLUTAMATE IN PLANTS NONOMURA ARTHUR M (US) 2000-07-26 EP disclosed
US-5846908-A Methods and compositions for enhancing plant growth with p-amino- or p-nitro-benzoic acids NONOMURA ARTHUR M (US) 1998-12-08 US disclosed
EP-0813510-A1 METHODS AND COMPOSITIONS FOR ENHANCING FORMYLTETRAHYDROPTEROYLPOLYGLUTAMATE IN PLANTS NONOMURA, Arthur M. (US) 1997-12-29 EP disclosed
WO-1996027572-A1 METHODS AND COMPOSITIONS FOR ENHANCING FORMYLTETRAHYDROPTEROYLPOLYGLUTAMATE IN PLANTS NONOMURA ARTHUR M (US) 1996-09-12 WO disclosed
EP-0251455-A2 Amine derivatives of folic acid analogs CYTOGEN CORPORATION (US) 1988-01-07 EP 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 (4 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-20040072837-A1 Pharmaceutically active ornithine derivatives, ammonium salts thereof and methods of making same OTC, OAT, DOHH DHFR 996/4885KDM4E 879/4885TLR4 4440/4885
US-20050032807-A1 Methods of treating inflammatory diseases with ammonium salts of ornitihine derivatives ARG1, OTC, OAT DHFR 2948/4885KDM4E 1181/4885TLR4 615/4885
US-20060079531-A1 Pharmaceutically active ornithine derivatives, ammonium salts thereof and methods of making same OTC, OAT, ODC1 DHFR 1445/4885KDM4E 719/4885TLR4 4149/4885
US-20070219204-A1 Pharmaceutically active ornitihine derivatives, ammonium salts thereof and methods of making same OTC, OAT, ODC1 DHFR 2885/4885KDM4E 1117/4885TLR4 3585/4885

“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.