SCHEMBL17912917

SCHEMBL17912917

CCOC(=O)C1CN1Cc1cccc(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.65
▸ ALDH1A1 P00352 4/20 0.65
▸ MAPT P10636 1/20 0.65
▸ MEN1 O00255 4/20 0.59
▸ KMT2A Q03164 4/20 0.59
▸ POLB P06746 2/20 0.55
▸ CCR8 P51685 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ CMA1 P23946 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ SIRT2 Q8IXJ6 1/20 0.47
▸ SIRT1 Q96EB6 1/20 0.47
▸ SIGMAR1 Q99720 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
SCHEMBL7484491 0.86 MEN1 (0.80) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL19759511 0.85 ALDH1A1 (0.54) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL11147455 0.82 MEN1 (0.55) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL9831768 0.79 KDM4E (0.64) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3652320 0.78 ALDH1A1 (0.59) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL22241378 0.78 ROCK2 (0.53) KDM4EALDH1A1MAPT
SCHEMBL7549978 0.78 ALDH1A1 (0.56) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL17912899 0.77 MAPT (0.51) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL17912952 0.77 MAPT (0.51) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL21787685 0.76 PDK1 (0.51) KDM4EALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107406426-B Cyclic ureas as ROCK inhibitors 百时美施贵宝公司 2020-11-20 — — CN disclosed
EP-3242873-B1 CYCLIC UREAS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2020-07-22 — — EP disclosed
EP-3242873-B1 CYCLIC UREAS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2020-07-22 — — EP disclosed
US-10123993-B2 Cyclic ureas as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2018-11-13 — — US disclosed
US-20180000788-A1 CYCLIC UREAS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2018-01-04 — — US disclosed
EP-3242873-A1 CYCLIC UREAS AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2017-11-15 — — EP disclosed
WO-2016112236-A1 CYCLIC UREAS AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2016-07-14 — — WO disclosed
WO-2016112236-A1 CYCLIC UREAS AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2016-07-14 — — 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 (2 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-10123993-B2 Cyclic ureas as inhibitors of rock MYLK, ROCK1, UACA KDM4E 886/4885ALDH1A1 2912/4885MAPT 44/4885
US-20180000788-A1 CYCLIC UREAS AS INHIBITORS OF ROCK MYLK, ROCK1, UACA KDM4E 886/4885ALDH1A1 2912/4885MAPT 44/4885

“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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