SCHEMBL6557730

SCHEMBL6557730

O=C(O)Cn1cncc(NC(=O)OCc2ccccc2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
POLB P06746 1/20 0.49
P2RX7 Q99572 1/20 0.45
ELANE P08246 5/20 0.45
MAOB P27338 1/20 0.45
PTPN1 P18031 1/20 0.44
CASP3 P42574 1/20 0.44
HTT P42858 1/20 0.43
SCD O00767 1/20 0.42
CTRC Q99895 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ROCK2 O75116 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 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
SCHEMBL6556294 0.86 NPC1 (0.47) NPC1RAB9APOLBP2RX7ELANE
SCHEMBL6556281 0.82 NPC1 (0.46) NPC1RAB9APOLBELANEMAOB
SCHEMBL2801105 0.81 ELANE (0.62) NPC1RAB9APOLBELANEMAOB
SCHEMBL7297137 0.80 NPC1 (0.48) NPC1RAB9APOLBP2RX7ELANE
SCHEMBL6558269 0.80 ELANE (0.51) ELANECTRC
SCHEMBL6558328 0.80 ELANE (0.59) ELANECTRC
SCHEMBL27467966 0.79 NPC1 (0.50) NPC1RAB9APOLBP2RX7ELANE
SCHEMBL6805338 0.79 IDO1 (0.50) NPC1RAB9APOLBSMN1; SMN2LMNA
SCHEMBL6805017 0.78 SMN1; SMN2 (0.46) NPC1RAB9APOLBP2RX7ELANE
SCHEMBL7276630 0.78 ELANE (0.50) NPC1RAB9AELANEMAOBPTPN1

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 7 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
EP-0826671-B1 HETEROCYCLIC AMIDE COMPOUNDS AND MEDICINAL USE OF THE SAME MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP disclosed
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
US-5948785-A USEFUL AS CHYMASE INHIBITORS AND CAN BE EFFECTIVE FOR THE PROPHYLAXIS AND TREATMENT OF VARIOUS DISEASES CAUSED BY CHYMASE, SUCH AS THOSE CAUSED BY ANGIOTENSIN II. THE GREEN CROSS CORPORATION (JP) 1999-09-07 US disclosed
EP-0826671-A1 HETEROCYCLIC AMIDE COMPOUNDS AND MEDICINAL USE OF THE SAME THE GREEN CROSS CORPORATION (JP) 1998-03-04 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 2244/4885POLB 1017/4885

“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.