SCHEMBL9949375

SCHEMBL9949375

COC(=O)c1[nH]nnc1-c1cccc(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ PLK1 P53350 1/20 0.51
▸ TP53 P04637 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ HAO1 Q9UJM8 2/20 0.46
▸ ADORA3 P0DMS8 2/20 0.44
▸ ADORA2B P29275 2/20 0.44
▸ ADORA1 P30542 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ ADORA2A P29274 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ NEK1 Q96PY6 1/20 0.43
▸ NOTUM Q6P988 1/20 0.43
▸ XDH P47989 1/20 0.43

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
SCHEMBL23294557 0.88 HAO1 (0.56) MAPTSMN1; SMN2PLK1TP53GAA
SCHEMBL19669150 0.83 ALDH1A1 (0.53) MAPTSMN1; SMN2TP53GAAALDH1A1
SCHEMBL19715740 0.74 RAB9A (0.48) MAPTSMN1; SMN2TP53ALDH1A1HSD17B10
SCHEMBL23294463 0.74 HAO1 (0.53) HAO1
SCHEMBL22608565 0.74 USP7 (0.48) HAO1XDH
SCHEMBL701773 0.73 XDH (0.49) MAPTSMN1; SMN2PLK1GAAKDM4E
SCHEMBL22816909 0.73 MAPT (0.49) MAPTSMN1; SMN2TP53GAAALDH1A1
SCHEMBL18005923 0.72 ADORA2A (0.50) MAPTSMN1; SMN2TP53GAAADORA2B
SCHEMBL13538503 0.72 MAPT (0.54) MAPTSMN1; SMN2PLK1TP53ALDH1A1
SCHEMBL31130219 0.71 MAPT (0.60) MAPTSMN1; SMN2PLK1TP53GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012101487-A1 DI/TRI-AZA-SPIRO-C9-C11ALKANES NOVARTIS AG (CH) 2012-08-02 — — WO disclosed
WO-2012101487-A1 DI/TRI-AZA-SPIRO-C9-C11ALKANES NOVARTIS AG (CH) 2012-08-02 — — WO disclosed
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 — — US disclosed
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 — — US disclosed
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 — — 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-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes TACR2, TACR1, AGTR1 MAPT 4402/4885SMN1; SMN2 2847/4885PLK1 4195/4885

“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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