SCHEMBL6006904

SCHEMBL6006904

O=[C]NCn1nnc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.59
SLC9A1 P19634 6/20 0.54
GRM2 Q14416 1/20 0.51
TSHR P16473 2/20 0.51
GLA P06280 1/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
ALDH1A1 P00352 1/20 0.51
EGLN3 Q9H6Z9 1/20 0.50
POLB P06746 2/20 0.49
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MGAM O43451 1/20 0.49
AMY1A P0DUB6 1/20 0.49
GAA P10253 1/20 0.49
SI P14410 1/20 0.49

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
SCHEMBL6005153 0.83 RPS6KA3 (0.59) RPS6KA3SLC9A1GRM2TSHRGLA
SCHEMBL9618157 0.81 RPS6KA3 (0.84) RPS6KA3SLC9A1GRM2TSHRGLA
SCHEMBL3403852 0.80 SLC9A1 (0.63) RPS6KA3SLC9A1GRM2TSHRGLA
SCHEMBL2491283 0.80 RPS6KA3 (0.55) RPS6KA3SLC9A1GRM2TSHRGLA
SCHEMBL29883008 0.80 RPS6KA3 (0.55) RPS6KA3SLC9A1GRM2TSHRGLA
SCHEMBL2494163 0.79 RPS6KA3 (0.77) RPS6KA3SLC9A1GRM2TSHRGLA
SCHEMBL9065452 0.77 RAB9A (0.61) SLC9A1GRM2TSHRGLAALDH1A1
SCHEMBL4083657 0.77 SLC9A1 (0.65) RPS6KA3SLC9A1GRM2TSHRGLA
SCHEMBL5550585 0.77 RPS6KA3 (0.64) RPS6KA3SLC9A1GRM2TSHRGLA
SCHEMBL579871 0.77 RPS6KA3 (0.59) RPS6KA3SLC9A1GRM2CYP1A2CYP2C9

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 5 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

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 RPS6KA3 1141/4885SLC9A1 390/4885GRM2 1892/4885

“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.