SCHEMBL305629

SCHEMBL305629

CC(C)(C)OC(=O)N1CCOC[C@@H]1COc1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.46
▸ BCL2 P10415 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ LMNA P02545 4/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ S1PR4 O95977 1/20 0.39
▸ FAAH O00519 2/20 0.39
▸ BCHE P06276 2/20 0.39
▸ ACHE P22303 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ MAPT P10636 3/20 0.39
▸ ALOX5AP P20292 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38

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
SCHEMBL1700170 0.87 LMNA (0.45) KDM4EBCL2ALDH1A1SMN1; SMN2NPC1
SCHEMBL304792 0.85 ALDH1A1 (0.39) KDM4EBCL2ALDH1A1SMN1; SMN2NPC1
SCHEMBL305630 0.81 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL304726 0.77 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL304725 0.77 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL304809 0.75 CHEK1 (0.49) NPC1RAB9AKMT2A
SCHEMBL30149908 0.75 IL1B (0.39) SMN1; SMN2ALOX5AP
SCHEMBL31615587 0.74 DPP4 (0.45) KDM4EALDH1A1NPC1LMNAALOX5AP
SCHEMBL14453645 0.73 MAPT (0.48) ALDH1A1SMN1; SMN2KMT2ALMNACYP2C19
SCHEMBL19423770 0.73 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A

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
US-8093244-B2 Heteroaryl urea derivatives useful for inhibiting CHK1 ICOS CORPORATION (US) 2012-01-10 — — US disclosed
EP-2330105-A1 Heteroaryl urea derivatives useful for inhibiting CHK1 ICOS Corporation (US) 2011-06-08 — — EP disclosed
US-20090143357-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHK1 ICOS CORPORATION (US) 2009-06-04 — — US disclosed
EP-1869020-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHKl ICOS Corporation (US) 2007-12-26 — — EP disclosed
WO-2006105262-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHKl ICOS CORPORATION (US) 2006-10-05 — — 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-20090143357-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHK1 CHEK1, CHEK2, PCNA KDM4E 2751/4885BCL2 1539/4885ALDH1A1 3398/4885

“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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