SCHEMBL6806339

SCHEMBL6806339

O=c1[nH][nH]c(=O)n1-c1cc(Cl)cc(Cl)c1.[NaH].[NaH]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
KDM4E B2RXH2 1/20 0.41
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
ADRB1 P08588 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
TSHR P16473 2/20 0.38
NOTUM Q6P988 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SOD1 P00441 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6219762 0.98 GAA (0.50) GAAGSK3AGSK3BKDM4ECHRM2
SCHEMBL3022499 0.76 GSK3A (0.60) GAAGSK3AGSK3BKDM4ETSHR
SCHEMBL3013325 0.76 GAA (0.59) GAAGSK3AGSK3BKDM4EADRB1
SCHEMBL6592278 0.76 GAA (0.43) GAAGSK3AGSK3BKDM4ESMN1; SMN2
SCHEMBL11615640 0.71 GSK3A (0.52) GSK3AGSK3BKDM4ECHRM2CHRM4
SCHEMBL11608487 0.71 TP53 (0.53) GAAGSK3AGSK3BKDM4EADRB1
SCHEMBL11612676 0.69 KDM4E (0.39) GAAGSK3AGSK3BKDM4ECHRM2
SCHEMBL38660365 0.67 SMN1; SMN2 (0.37) KDM4ECHRM2CHRM4ADRB1CHRM1
1,3,5-Trichlorobenzene SCHEMBL28192425 0.66 TSHR (0.89) CHRM2CHRM4ADRB1CHRM1CHRM3
SCHEMBL1746213 0.65 KDM4E (0.40) KDM4ECHRM2CHRM4ADRB1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6673825-B2 ANTIINFLAMMATORY AGENTS; IMMUNOSUPPRESSANTS BRISTOL-MYERS SQUIBB CO. 2004-01-06 US disclosed
US-20030013745-A1 Urazole compounds useful as anti-inflammatory agents CEREP SA (FR) 2003-01-16 US disclosed
US-4162315-A 1,2-(TETRAMETHYLENE)-4-(3,5-DICHLOROPHENYL)URAZOLES MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1979-07-24 US disclosed
US-4049820-A Substituted urazole and thiourazole compounds as agricultural fungicidal agents MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1977-09-20 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-20030013745-A1 Urazole compounds useful as anti-inflammatory agents TPMT, IL4, IL5 GAA 3329/4885GSK3A 4464/4885GSK3B 4335/4885

“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.