SCHEMBL6007889

SCHEMBL6007889

S=[C]NCn1c2ccccc2c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
CYP19A1 P11511 1/20 0.44
BACE1 P56817 2/20 0.42
KDM4E B2RXH2 3/20 0.41
POLB P06746 1/20 0.40
HDAC6 Q9UBN7 2/20 0.40
FABP4 P15090 2/20 0.39
FABP5 Q01469 2/20 0.39
FABP3 P05413 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 3/20 0.37
TSHR P16473 1/20 0.37
GPR3 P46089 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HDAC1 Q13547 1/20 0.37
DNM1 Q05193 1/20 0.37
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL6008130 0.80 CYP1A2 (0.50) CYP1A2CYP2C19CYP19A1BACE1KDM4E
SCHEMBL15964348 0.72 CYP1A2 (0.56) CYP1A2CYP2C19CYP19A1BACE1KDM4E
SCHEMBL6006486 0.68 CDK4 (0.55) CYP1A2CYP2C19HDAC6ALDH1A1TSHR
SCHEMBL5134759 0.68 CYP1A2 (1.00) CYP1A2CYP2C19CYP19A1BACE1KDM4E
SCHEMBL9768532 0.68 CYP1A2 (0.70) CYP1A2CYP2C19CYP19A1BACE1KDM4E
SCHEMBL17928418 0.67 CYP1A2 (0.48) CYP1A2CYP2C19CYP19A1BACE1KDM4E
SCHEMBL28284905 0.66 CYP1A2 (0.67) CYP1A2CYP2C19CYP19A1BACE1KDM4E
SCHEMBL6005153 0.66 RPS6KA3 (0.59) CYP1A2CYP2C19KDM4EPOLBALDH1A1
SCHEMBL6008639 0.65
SCHEMBL15930272 0.64 CYP1A2 (0.64) CYP1A2CYP2C19CYP19A1BACE1KDM4E

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 CYP1A2 68/4885CYP2C19 298/4885CYP19A1 284/4885

“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.