SCHEMBL6810352

SCHEMBL6810352

O=C(Nc1cncn(C(C(=O)O)c2ccc3c(c2)OCO3)c1=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.47
RAB9A P51151 8/20 0.47
PTGS2 P35354 1/20 0.46
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP2 O95551 1/20 0.44
CASP6 P55212 1/20 0.44
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
PKM P14618 2/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
USP2 O75604 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
AHR P35869 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
SCHEMBL6805321 0.83 IDO1 (0.47) NPC1RAB9AMAPTKMT2ATP53
SCHEMBL6805808 0.81 SMN1; SMN2 (0.47) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6802997 0.81 RAB9A (0.47) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6803439 0.81 ALDH1A1 (0.47) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6805622 0.81 IDO1 (0.43) MAPTMEN1KMT2ATP53SMN1; SMN2
SCHEMBL6805953 0.80 IDO1 (0.41) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6806331 0.79 MAPK9 (0.43) PTGS2KMT2AALDH1A1NPSR1USP2
SCHEMBL6799314 0.78 RAB9A (0.49) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6803978 0.77 KMT2A (0.47) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6804869 0.77 POLB (0.50) NPC1RAB9AMAPTMEN1KMT2A

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 NPC1 1638/4885RAB9A 2244/4885PTGS2 2678/4885

“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.