SCHEMBL10261014

SCHEMBL10261014

CN(C)CCOc1cccc(Cl)c1

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.82
▸ MAPT P10636 1/20 0.68
▸ CHRNB2 P17787 4/20 0.65
▸ CHRNA4 P43681 4/20 0.65
▸ LMNA P02545 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ LTA4H P09960 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ KCNH2 Q12809 1/20 0.54
▸ TAAR1 Q96RJ0 1/20 0.51
▸ DRD2 P14416 1/20 0.51
▸ DRD4 P21917 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KEAP1 Q14145 1/20 0.50
▸ NFE2L2 Q16236 1/20 0.50
▸ ESR1 P03372 1/20 0.50

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
SCHEMBL3445325 0.90 KDM4E (0.76) KDM4EMAPTCHRNB2CHRNA4LMNA
SCHEMBL9808215 0.82 LMNA (0.67) KDM4ELMNAMAPK1HTTSMN1; SMN2
SCHEMBL30642985 0.81 MAPT (1.00) KDM4EMAPTCHRNB2CHRNA4ALDH1A1
SCHEMBL8360713 0.80 CHRNB2 (0.67) KDM4EMAPTCHRNB2CHRNA4LMNA
SCHEMBL16858365 0.80 CHRNB2 (0.67) KDM4EMAPTCHRNB2CHRNA4LMNA
SCHEMBL30862627 0.80 CHRNB2 (0.67) KDM4ECHRNB2CHRNA4LMNAALDH1A1
SCHEMBL5025139 0.80 CHRNB2 (0.67) KDM4ECHRNB2CHRNA4LMNAALDH1A1
SCHEMBL196962 0.79 KMT2A (0.68) KDM4EMAPTLMNAMAPK1HTT
SCHEMBL7222639 0.79 CHRNB2 (0.65) KDM4EMAPTCHRNB2CHRNA4LMNA
SCHEMBL18186482 0.79 CHRNB2 (0.65) KDM4EMAPTCHRNB2CHRNA4LMNA

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-8735406-B2 8-oxodihydropurine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-05-27 — — US disclosed
US-8735406-B2 8-oxodihydropurine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-05-27 — — US disclosed
US-20120172347-A1 8-OXODIHYDROPURINE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-05 — — US disclosed
US-20120172347-A1 8-OXODIHYDROPURINE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-05 — — 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-20120172347-A1 8-OXODIHYDROPURINE DERIVATIVE FAAH, FAAH2, TPMT KDM4E 1314/4885MAPT 2670/4885CHRNB2 3125/4885

“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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