SCHEMBL6804869

SCHEMBL6804869

O=C(Nc1cncn(C(C(=O)O)c2cccc([N+](=O)[O-])c2)c1=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HDAC2 Q92769 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 2/20 0.45
SNCA P37840 1/20 0.45
MAPT P10636 4/20 0.43
ABCB1 P08183 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 1/20 0.42
CASP3 P42574 1/20 0.41

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
SCHEMBL6803978 0.89 KMT2A (0.47) POLBCACNA1BAPBA1SMN1; SMN2NPC1
SCHEMBL6805321 0.85 IDO1 (0.47) POLBSMN1; SMN2HDAC2NPC1RAB9A
SCHEMBL6805953 0.84 IDO1 (0.41) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL6803128 0.81 GRM8 (0.40) SMN1; SMN2KMT2AALDH1A1MEN1MAPT
SCHEMBL6805622 0.79 IDO1 (0.43) POLBSMN1; SMN2HDAC2KMT2AALDH1A1
SCHEMBL6805808 0.79 SMN1; SMN2 (0.47) POLBSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL6803439 0.79 ALDH1A1 (0.47) POLBSMN1; SMN2HDAC2NPC1RAB9A
SCHEMBL6802997 0.79 RAB9A (0.47) POLBSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL6804846 0.79 GPR132 (0.47) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL6810352 0.77 NPC1 (0.47) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063936-A1 Pyrimidine derivatives and process for preparing the same ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US claimed
EP-1346985-A1 PYRIMIDINE DERIVATIVES AND PROCESS FOR PREPARING THE SAME ONO PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 EP claimed
US-20040063936-A1 Pyrimidine derivatives and process for preparing the same ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US disclosed
EP-1346985-A1 PYRIMIDINE DERIVATIVES AND PROCESS FOR PREPARING THE SAME ONO PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 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 (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-20040063936-A1 Pyrimidine derivatives and process for preparing the same DPYD, NUDT1, UMPS POLB 1017/4885CACNA1B 3542/4885APBA1 2132/4885

“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.