SCHEMBL305630

SCHEMBL305630

CC(C)(C)OC(=O)N1CCCCOC1COc1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MEN1 O00255 2/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ FAAH O00519 2/20 0.39
▸ BCHE P06276 2/20 0.39
▸ ACHE P22303 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ DRD4 P21917 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ HTT P42858 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ USP30 Q70CQ3 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL306340 0.85 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1LMNADRD4
SCHEMBL304725 0.81 KDM4E (0.51) KDM4EALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL304726 0.81 KDM4E (0.51) KDM4EALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL305629 0.81 KDM4E (0.46) KDM4EALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL305106 0.76 UCHL1 (0.38) ALDH1A1KMT2AMEN1NPSR1USP30
SCHEMBL31615587 0.73 DPP4 (0.45) KDM4EALDH1A1NPC1LMNANPSR1
SCHEMBL19423770 0.72 KDM4E (0.55) KDM4EALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL14453645 0.71 MAPT (0.48) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL5008126 0.71 KDM4E (0.57) KDM4EALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL31615845 0.70 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA

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-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

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 2751/4885ALDH1A1 3398/4885KMT2A 1835/4885

“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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