SCHEMBL6006486

SCHEMBL6006486

S=[C]NCn1ccc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.55
CCND1 P24385 4/20 0.55
KMT2A Q03164 1/20 0.46
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR6 P50406 1/20 0.44
MAPK1 P28482 2/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL6005009 0.82 CDK4 (0.55) CDK4CCND1KMT2AHTR2AHTR2C
SCHEMBL1460648 0.76 CDK4 (0.61) CDK4CCND1KMT2AHTR2AHTR2C
SCHEMBL9620499 0.72 CDK4 (0.52) CDK4CCND1KMT2AHTR2AHTR2C
SCHEMBL11366447 0.72 CDK4 (1.00) CDK4CCND1KMT2AHTR2AHTR2C
SCHEMBL945970 0.70 CDK4 (0.71) CDK4CCND1KMT2AHTR2AHTR2C
SCHEMBL6008639 0.69
SCHEMBL6619810 0.69 HTT (0.72) CDK4CCND1KMT2AHTR2AHTR2C
SCHEMBL1616727 0.69 CDK4 (0.52) CDK4CCND1KMT2AHTR2AHTR2C
SCHEMBL6125407 0.69 CDK4 (0.68) CDK4CCND1KMT2AHTR2AHTR2C
SCHEMBL1629560 0.69 CDK4 (0.68) CDK4CCND1KMT2AHTR2AHTR2C

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 CDK4 2891/4885CCND1 1787/4885KMT2A 2387/4885

“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.