SCHEMBL10073695

SCHEMBL10073695

COc1cccc(Cn2nc(N3CCN(C(=O)OCC4c5ccccc5-c5ccccc54)CC3)ccc2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ PIK3CD O00329 1/20 0.41
▸ PIK3R2 O00459 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ PIK3CB P42338 1/20 0.41
▸ PIK3CG P48736 1/20 0.41
▸ PIK3R5 Q8WYR1 1/20 0.41
▸ PIK3R3 Q92569 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ FAAH O00519 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL13533084 0.78 ALDH1A1 (0.53) MAPTALDH1A1GAAPKMTP53
SCHEMBL10072963 0.75 BCL2A1 (0.52) MAPTALDH1A1TP53LMNA
SCHEMBL4681023 0.71 GRIN2B (0.52) ALDH1A1
SCHEMBL13327274 0.71 POLB (0.52) MAPTALDH1A1GAAL3MBTL1POLB
SCHEMBL22397770 0.71 POLB (0.52) MAPTALDH1A1GAAL3MBTL1POLB
SCHEMBL13533786 0.70 HRH3 (0.50) MAPTALDH1A1GAAL3MBTL1POLB
SCHEMBL13533759 0.69 PANK3 (0.47) ALDH1A1LMNA
SCHEMBL4783576 0.68 CALCRL (0.40) MAPTALDH1A1GAAKDM4EL3MBTL1
SCHEMBL13533056 0.68 TP53 (0.53) MAPTTP53
SCHEMBL12295621 0.68 HDAC1 (0.49) ALDH1A1KDM4ELMNA

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
EP-2310395-B1 9-SUBSTITUTED-B-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS VETOQUINOL SA (FR) 2012-01-18 — — EP disclosed
US-8071590-B2 9-substituted-5-carboxy-oxadiazino-quinolone derivatives, their preparation and their application as anti-bacterials VETOQUINOL SA (FR) 2011-12-06 — — US disclosed
EP-2145891-A1 9-substituted-5-carboxy-oxadiazino-quinolone derivatives, their preparation and their application as anti-bacterials VETOQUINOL S.A. (FR) 2010-01-20 — — EP disclosed
WO-2010004394-A1 9-SUBSTITUTED-B-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS VETOQUINOL SA (FR) 2010-01-14 — — WO disclosed
US-20100009980-A1 NOVEL 9-SUBSTITUTED-5-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS VETOQUINOL SA (FR) 2010-01-14 — — 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-20100009980-A1 NOVEL 9-SUBSTITUTED-5-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS Q6ZSR9, NQO2, RECQL MAPT 4726/4885ALDH1A1 2113/4885GAA 3109/4885

“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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