SCHEMBL6804846

SCHEMBL6804846

O=C(Nc1cncn(C(C(=O)O)c2cccc(OCc3ccccc3)c2)c1=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 8/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NR1H4 Q96RI1 2/20 0.45
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
SMPD1 P17405 1/20 0.44
SPHK2 Q9NRA0 1/20 0.43
SPHK1 Q9NYA1 1/20 0.43
CMKLR2 P46091 1/20 0.43
CMKLR1 Q99788 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL6803679 0.90 RAB9A (0.50) GPR132MEN1KMT2AHDAC1NR1H4
SCHEMBL6805321 0.83 IDO1 (0.47) KMT2AHDAC1ALDH1A1SMN1; SMN2NPC1
SCHEMBL6805705 0.83 SMN1; SMN2 (0.49) GPR132KMT2ATSHRSMN1; SMN2SMPD1
SCHEMBL6805953 0.82 IDO1 (0.41) MEN1KMT2AHDAC1HDAC8HDAC6
SCHEMBL6804869 0.79 POLB (0.50) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL6799314 0.78 RAB9A (0.49) MEN1KMT2AHDAC1HDAC8HDAC6
SCHEMBL8519576 0.78 NPC1 (0.45) MEN1KMT2ANPC1RAB9A
SCHEMBL6805631 0.78 POLB (0.48) SMN1; SMN2NPC1RAB9A
SCHEMBL6803439 0.76 ALDH1A1 (0.47) MEN1KMT2AHDAC1TSHRALDH1A1
SCHEMBL6805622 0.76 IDO1 (0.43) MEN1KMT2AALDH1A1GAASMN1; SMN2

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 GPR132 4306/4885MEN1 1512/4885KMT2A 2096/4885

“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.