SCHEMBL13533759

SCHEMBL13533759

O=C(OCC1c2ccccc2-c2ccccc21)N1CCN(c2ccc(Cl)nn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PANK3 Q9H999 12/20 0.47
▸ LMNA P02545 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ TRPV1 Q8NER1 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ FABP7 O15540 1/20 0.40
▸ FABP5 Q01469 1/20 0.40
▸ DPP4 P27487 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
SCHEMBL13327274 0.82 POLB (0.52) LMNAKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL22397770 0.82 POLB (0.52) LMNAKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL9310615 0.80 NPSR1 (0.57) PANK3LMNAHTTKMT2AMEN1
SCHEMBL5646412 0.79 MEN1 (0.52) PANK3LMNAHTTKMT2AMEN1
SCHEMBL13533786 0.79 HRH3 (0.50) KMT2ASMN1; SMN2ALDH1A1CYP1A2FABP7
SCHEMBL12295621 0.78 HDAC1 (0.49) LMNAHTTKMT2AMEN1SMN1; SMN2
SCHEMBL3219970 0.77 FABP5 (0.49) LMNAKMT2ASMN1; SMN2ALDH1A1FABP7
SCHEMBL30824716 0.76 TSHR (0.50) LMNAKMT2ASMN1; SMN2ALDH1A1FABP7
SCHEMBL8222797 0.76 TSHR (0.50) LMNAKMT2ASMN1; SMN2ALDH1A1FABP7
SCHEMBL30555288 0.76 TSHR (0.50) LMNAKMT2ASMN1; SMN2ALDH1A1FABP7

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-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 PANK3 2542/4885LMNA 3494/4885HTT 4393/4885

“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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