SCHEMBL16119635

SCHEMBL16119635

COc1ccc(/C=N/c2cc(C)cc(C)c2)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.57
▸ CYP1A2 P05177 9/20 0.54
▸ CYP1A1 P04798 7/20 0.54
▸ CYP1B1 Q16678 7/20 0.54
▸ ALDH1A1 P00352 5/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ GRIN2D O15399 2/20 0.52
▸ GRIN3B O60391 2/20 0.52
▸ GRIN1 Q05586 2/20 0.52
▸ GRIN2A Q12879 2/20 0.52
▸ GRIN2B Q13224 2/20 0.52
▸ GRIN2C Q14957 2/20 0.52
▸ GRIN3A Q8TCU5 2/20 0.52
▸ KDM4E B2RXH2 3/20 0.51
▸ AMY1A P0DUB6 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ HPGD P15428 2/20 0.50
▸ NFE2L2 Q16236 2/20 0.49
▸ CYP19A1 P11511 1/20 0.47

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
SCHEMBL17471435 0.86 MAPT (0.51) MAPTCYP1A2CYP1A1CYP1B1ALDH1A1
SCHEMBL15896224 0.81 CA12 (0.56) MAPTCYP1A2CYP1A1CYP1B1ALDH1A1
SCHEMBL11747282 0.78 GRIN2D (0.73) MAPTCYP1A2CYP1A1CYP1B1ALDH1A1
SCHEMBL18719807 0.76 HPGD (0.58) CYP1A2CYP1A1CYP1B1ALDH1A1GRIN2D
SCHEMBL145083 0.75 CYP1A2 (0.76) MAPTCYP1A2CYP1A1CYP1B1ALDH1A1
SCHEMBL2316541 0.75 GRIN2D (0.64) MAPTCYP1A2CYP1A1CYP1B1ALDH1A1
SCHEMBL2009040 0.75 GRIN2D (0.64) MAPTCYP1A2CYP1A1CYP1B1ALDH1A1
SCHEMBL2314671 0.75 GRIN2D (0.64) MAPTCYP1A2CYP1A1CYP1B1ALDH1A1
SCHEMBL8237102 0.75 GRIN2D (0.64) MAPTCYP1A2CYP1A1CYP1B1ALDH1A1
SCHEMBL13128166 0.75 CYP1A2 (0.63) MAPTCYP1A2CYP1A1CYP1B1ALDH1A1

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-2970248-B1 COUMARIN DERIVATIVES AND METHODS OF USE IN TREATING CYSTIC FIBROSIS, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, AND MISFOLDED PROTEIN DISORDERS DISCOVERYBIOMED INC (US) 2020-04-22 — — EP disclosed
US-10369145-B2 Coumarin derivatives and methods of use in treating hyperproliferative diseases DISCOVERYBIOMED, INC. (US) 2019-08-06 — — US disclosed
US-9815825-B2 Coumarin derivatives and methods of use in treating cystic fibrosis, chronic obstructive pulmonary disease, and misfolded protein disorders DISCOVERYBIOMED, INC. (US) 2017-11-14 — — US disclosed
US-20160038475-A1 COUMARIN DERIVATIVES AND METHODS OF USE IN TREATING HYPERPROLIFERATIVE DISEASES DISCOVERYBIOMED, INC. (US) 2016-02-11 — — US disclosed
US-20160024065-A1 COUMARIN DERIVATIVES AND METHODS OF USE IN TREATING CYSTIC FIBROSIS, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, AND MISFOLDED PROTEIN DISORDERS DISCOVERYBIOMED, INC. (US) 2016-01-28 — — US disclosed
WO-2014152278-A2 COUMARIN DERIVATIVES AND METHODS OF USE IN TREATING HYPERPROLIFERATIVE DISEASES DISCOVERYBIOMED, INC. (US) 2014-09-25 — — WO disclosed
WO-2014152213-A2 COUMARIN DERIVATIVES AND METHODS OF USE IN TREATING CYSTIC FIBROSIS, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, AND MISFOLDED PROTEIN DISORDERS DISCOVERYBIOMED, INC. (US) 2014-09-25 — — 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 (3 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-20160024065-A1 COUMARIN DERIVATIVES AND METHODS OF USE IN TREATING CYSTIC FIBROSIS, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, AND MISFOLDED PROTEIN DISORDERS CFTR, SLC47A1, ABCB11 MAPT 3746/4885CYP1A2 1524/4885CYP1A1 1247/4885
US-10369145-B2 Coumarin derivatives and methods of use in treating hyperproliferative diseases HSP90B1, HSPD1, HSPE1 MAPT 3834/4885CYP1A2 3271/4885CYP1A1 3285/4885
US-20160038475-A1 COUMARIN DERIVATIVES AND METHODS OF USE IN TREATING HYPERPROLIFERATIVE DISEASES HSP90B1, HSPD1, HSPE1 MAPT 3834/4885CYP1A2 3271/4885CYP1A1 3285/4885

“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.

Send feedback