SCHEMBL10006583

SCHEMBL10006583

Cn1c(=O)n(C(=O)N2CCCC2)c2nc(CCc3ccc(F)cc3)ncc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MAOB P27338 2/20 0.35
▸ GRIN2B Q13224 5/20 0.35
▸ GRIN1 Q05586 2/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ PREP P48147 2/20 0.35
▸ MAOA P21397 1/20 0.34
▸ TMEM97 Q5BJF2 1/20 0.34
▸ USP1 O94782 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
SCHEMBL10006357 0.98 GRIN2B (0.37) ALDH1A1SMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL10007381 0.91 TSHR (0.38) ALDH1A1SMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL10261255 0.91 PREP (0.36) ALDH1A1GRIN2BPREP
SCHEMBL10006624 0.90 TSHR (0.43) ALDH1A1NPC1NPSR1
SCHEMBL10006462 0.89 GRIN1 (0.40) MAOBGRIN2BGRIN1PREP
SCHEMBL10007252 0.89 ATM (0.39) ALDH1A1MAOBGRIN2BGRIN1MAOA
SCHEMBL10007296 0.88 GRIN2B (0.43) GRIN2BGRIN1
SCHEMBL10261397 0.88 TSHR (0.41) ALDH1A1SMN1; SMN2NPC1NPSR1
SCHEMBL10006678 0.87 GRIN2B (0.37) MAOBGRIN2BGRIN1USP1
SCHEMBL10006797 0.87 ATM (0.39) ALDH1A1MAOBGRIN2BGRIN1MAOA

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
EP-2476682-B1 8-OXODIHYDROPURINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2017-04-26 — — EP disclosed
US-8735406-B2 8-oxodihydropurine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-05-27 — — US disclosed
EP-2476682-A1 8-OXODIHYDROPURINE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-07-18 — — EP 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 ALDH1A1 50/4885SMN1; SMN2 2425/4885NPC1 1796/4885

“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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