SCHEMBL6006475

SCHEMBL6006475

O=[C]NCc1cccnn1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 4/20 0.43
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 1/20 0.40
NAMPT P43490 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.38
P2RX7 Q99572 1/20 0.38
GOT1 P17174 1/20 0.35
ADORA2B P29275 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
SLC40A1 Q9NP59 2/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL6006766 0.81 VNN1 (0.40) VNN1CYP1A2CYP2C9NAMPTCTDSP1
SCHEMBL772291 0.74 SMN1; SMN2 (0.56) SMN1; SMN2
SCHEMBL9290553 0.74
SCHEMBL8691162 0.74
SCHEMBL8183964 0.73 ADH1B (0.44) VNN1CYP1A2CYP2C9NAMPTCTDSP1
SCHEMBL6849121 0.73 CYP1A2 (0.38) VNN1CYP1A2CYP2C9NAMPTCTDSP1
SCHEMBL4073039 0.72 CYP2C9 (0.55) VNN1CYP1A2CYP2C9NAMPTCTDSP1
SCHEMBL12079383 0.71 CTDSP1 (0.42) VNN1CYP1A2CYP2C9NAMPTCTDSP1
SCHEMBL8230937 0.70 NPSR1 (0.62) VNN1CYP1A2CYP2C9NAMPTCTDSP1
SCHEMBL4243547 0.70 VNN1 (0.44) VNN1CYP1A2CYP2C9NAMPTCTDSP1

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
EP-1207161-B1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2006-01-18 EP disclosed
US-6777410-B2 SUCH AS 9-(2-METHOXYPHENYL)-3-(1-METHYLETHYL)-(1,3)OXAZOLO-(2,3)ISOINDOLE-2,5(3H,9H)-DIONE; DIABETES AND COMPLICATIONS; OBESITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-08-17 US disclosed
US-20040053923-A1 Novel isoindole derivatives BANYU PHARMACEUTICAL CO., LTD. 2004-03-18 US disclosed
US-6608098-B1 Diabetes or obesity, 2-(4-(3-isopropyl-2,5-dioxo-2,3-dihydro-1H-pyrrolo(2,1-a) isoindol-9(5H)-yl)phenoxy)-N-propylacetamide BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-08-19 US disclosed
EP-1207161-A1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 EP disclosed
US-6140338-A FOR TREATING ACUTE INFLAMMATORY DISEASES, CHRONIC INFLAMMATORY DISEASES, ACQUIRED IMMUNE DEFICIENCY SYNDROME, CANCER, ISCHEMIC REFLOW DISORDER AND/OR ARTERIOSCLEROSIS BANYU PHARMACEUTICAL, CO., LTD. (JP) 2000-10-31 US disclosed
EP-0916668-A1 CHEMOKINE RECEPTOR ANTAGONISTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-05-19 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-20040053923-A1 Novel isoindole derivatives GPR119, SLC5A2, SLC5A1 VNN1 4767/4885CYP1A2 68/4885CYP2C9 536/4885

“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.