SCHEMBL6493969

SCHEMBL6493969

O=c1[nH]c(=O)n(CCc2ccc([N+](=O)[O-])cc2)c2c1CCCC2

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ KCNJ1 P48048 4/20 0.48
▸ KCNH2 Q12809 3/20 0.48
▸ PARP1 P09874 7/20 0.47
▸ SIGMAR1 Q99720 2/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ APAF1 O14727 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MAOA P21397 1/20 0.41

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
SCHEMBL6483093 0.85 PARP1 (0.48) HRH3KCNJ1KCNH2PARP1
SCHEMBL6483613 0.82 PARP1 (0.47) PARP1MAPTKMT2A
SCHEMBL5653299 0.70 HRH3 (0.93) HRH3KCNJ1KCNH2SIGMAR1MAOA
SCHEMBL3156895 0.70 HRH3 (1.00) HRH3KCNJ1KCNH2SIGMAR1MAOA
SCHEMBL6483005 0.69 PTGDR2 (0.51) SMN1; SMN2PARP1MEN1MAPTKMT2A
SCHEMBL3156570 0.68 HRH3 (0.97) HRH3KCNJ1KCNH2SIGMAR1MAOA
SCHEMBL914324 0.68 HRH3 (0.97) HRH3KCNJ1KCNH2SIGMAR1MAOA
SCHEMBL25792230 0.68 KCNJ1 (0.48) HRH3KCNJ1KCNH2MEN1KMT2A
SCHEMBL6494377 0.68 PARP1 (0.61) PARP1
SCHEMBL6481336 0.68 PARP1 (0.49) PARP1

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-20050159431-A1 Substituted alkyl uracils and thereof BAYER HEALTHCARE AG (DE) 2005-07-21 — — US disclosed
EP-1467975-A1 SUBSTITUTED ALKYL URACILS AND THE USE THEREOF Bayer HealthCare AG (DE) 2004-10-20 — — EP disclosed
WO-2003059892-A1 SUBSTITUTED ALKYL URACILS AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2003-07-24 — — 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-20050159431-A1 Substituted alkyl uracils and thereof UNG, UMPS, TYMP HRH3 2268/4885SMN1; SMN2 1144/4885KCNJ1 3513/4885

“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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