SCHEMBL10073691

SCHEMBL10073691

Cn1cccc1C(=O)N1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 4/20 0.57
▸ CYP2C19 P33261 3/20 0.57
▸ KMT2A Q03164 5/20 0.54
▸ MEN1 O00255 4/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ SMN1; SMN2 Q16637 5/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ CYP3A4 P08684 8/20 0.52
▸ TSHR P16473 5/20 0.52
▸ CYP1A2 P05177 6/20 0.51
▸ USP2 O75604 5/20 0.51
▸ TP53 P04637 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ MAPK1 P28482 2/20 0.48
▸ RECQL P46063 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ CYP2C9 P11712 2/20 0.47

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
SCHEMBL379160 0.82 MEN1 (0.76) CYP2D6CYP2C19KMT2AMEN1NPSR1
SCHEMBL3970912 0.82 MEN1 (0.76) CYP2D6CYP2C19KMT2AMEN1NPSR1
SCHEMBL4814264 0.82 MEN1 (0.76) CYP2D6CYP2C19KMT2AMEN1NPSR1
SCHEMBL7393652 0.82 MEN1 (0.76) CYP2D6CYP2C19KMT2AMEN1NPSR1
SCHEMBL13149852 0.81 MEN1 (0.50) CYP2C19KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL24673292 0.81 MEN1 (0.66) CYP2C19KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL2607031 0.81 MEN1 (0.66) CYP2C19KMT2AMEN1NPSR1SMN1; SMN2
Bicarbonate SCHEMBL4357688 0.80 MEN1 (0.73) CYP2D6CYP2C19KMT2AMEN1NPSR1
SCHEMBL15011579 0.80 MEN1 (0.73) CYP2D6CYP2C19KMT2AMEN1NPSR1
SCHEMBL2577808 0.79 KMT2A (0.64) CYP2C19KMT2AMEN1NPSR1SMN1; SMN2

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 7 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
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
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 CYP2D6 245/4885CYP2C19 195/4885KMT2A 4247/4885

“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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