SCHEMBL259387

SCHEMBL259387

COCCN1CCSCC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
GAA P10253 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD11B1 P28845 1/20 0.38
POLB P06746 1/20 0.35
GBA1 P04062 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM1A O60341 1/20 0.34

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
SCHEMBL84932 0.86 ALDH1A1 (0.38) MAPK1GAAKDM4EALDH1A1MEN1
SCHEMBL13196027 0.85 SIGMAR1 (0.38) MAPK1GAAKDM4EALDH1A1MEN1
SCHEMBL8149011 0.82 HSD11B1 (0.47) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL4893194 0.82 HSD11B1 (0.47) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL6057032 0.82
SCHEMBL14524613 0.77 POLB (0.37) GAAKDM4EALDH1A1POLBKDM1A
SCHEMBL1220049 0.77
SCHEMBL12454 0.77
SCHEMBL2074984 0.77
SCHEMBL10855530 0.76 GAA (0.34) GAAKDM4EALDH1A1MEN1KMT2A

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113087684-B Application of bis (triphenylphosphine) carbonyl ruthenium dichloride monohydrate 浙江工业大学 2022-06-21 CN claimed
CN-113087684-A Application of bis (triphenylphosphine) carbonyl ruthenium dichloride monohydrate 浙江工业大学 2021-07-09 CN claimed
WO-2023209250-A1 PYRIMIDO[5,4-D]PYRIMIDINE-BASED COMPOUNDS, METHODS AND USES THEREOF UNIVERSIDADE DO MINHO (PT) 2023-11-02 WO disclosed
CN-113201020-B Preparation method of bis (triphenylphosphine) carbonyl ruthenium dichloride monohydrate 浙江工业大学 2022-10-04 CN disclosed
CN-113087684-B Application of bis (triphenylphosphine) carbonyl ruthenium dichloride monohydrate 浙江工业大学 2022-06-21 CN disclosed
WO-2021222483-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-11-04 WO disclosed
WO-2021222363-A1 CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-11-04 WO disclosed
CN-113201020-A Preparation method of bis (triphenylphosphine) carbonyl ruthenium dichloride monohydrate 浙江工业大学 2021-08-03 CN disclosed
CN-113087684-A Application of bis (triphenylphosphine) carbonyl ruthenium dichloride monohydrate 浙江工业大学 2021-07-09 CN disclosed
EP-2203457-B1 DISPIRO 1,2,4-TRIOXOLANE ANTIMALARIALS MEDICINES FOR MALARIA VENTURE MMV (CH) 2014-03-05 EP disclosed
US-8507539-B2 Potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2013-08-13 US disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 EP disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 US disclosed
US-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 US disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 EP 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 (3 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-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 MAPK1 634/4885GAA 3552/4885KDM4E 4322/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 MAPK1 799/4885GAA 3879/4885KDM4E 2853/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A MAPK1 335/4885GAA 1781/4885KDM4E 2196/4885

“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.