SCHEMBL5065634

SCHEMBL5065634

COc1cccc(-c2c(Cl)cn[nH]c2=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 2/20 0.51
▸ GRIN2A Q12879 2/20 0.51
▸ GRIN2D O15399 1/20 0.51
▸ GRIN3B O60391 1/20 0.51
▸ GRIN2B Q13224 1/20 0.51
▸ GRIN2C Q14957 1/20 0.51
▸ GRIN3A Q8TCU5 1/20 0.51
▸ NOTUM Q6P988 1/20 0.47
▸ GAA P10253 1/20 0.44
▸ ADORA2A P29274 1/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ HTR1A P08908 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ HTR3A P46098 1/20 0.43

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
SCHEMBL10558188 0.77 HPGD (0.46) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL20818455 0.74 LTA4H (0.45) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL5067695 0.72 ALDH1A1 (0.54) NOTUMGAAALDH1A1LMNAGSK3B
SCHEMBL17051187 0.72 DYRK1A (0.45) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL20406100 0.71 ALDH1A1 (0.47) GAAALDH1A1GSK3BHTR7HTR2B
SCHEMBL4806930 0.71 GRIN2D (0.41) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL17045398 0.70 PRKAB2 (0.51) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL8255326 0.69 DCTPP1 (0.44) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL4803127 0.69 SMN1; SMN2 (0.41) ALDH1A1LMNAGSK3B
SCHEMBL20831304 0.69 SMN1; SMN2 (0.44) ALDH1A1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234301-A1 Alpha-4 Integrin Mediated Cell Adhesion Inhibitors for the Treatment or Prevention of Inflammatory Diseases MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-09-25 — — US disclosed
EP-1737826-A1 ALPHA-4 INTEGRIN MEDIATED CELL ADHESION INHIBITORS FOR THE TREATMENT OR PREVENTION OF INFLAMMATORY DISEASES TANABE SEIYAKU CO., LTD. (JP) 2007-01-03 — — EP disclosed
WO-2005075438-A1 ALPHA-4 INTEGRIN MEDIATED CELL ADHESION INHIBITORS FOR THE TREATMENT OR PREVENTION OF INFLAMMATORY DISEASES TANABE SEIYAKU CO., LTD. (JP) 2005-08-18 — — WO 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-20080234301-A1 Alpha-4 Integrin Mediated Cell Adhesion Inhibitors for the Treatment or Prevention of Inflammatory Diseases ITGB4, ITGA4, ICAM1 GRIN1 1751/4885GRIN2A 2433/4885GRIN2D 2672/4885

“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.

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