SCHEMBL10074089

SCHEMBL10074089

COC(=O)CCCn1nc(N2CCN(C(=O)OCc3ccccc3)CC2)ccc1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ HDAC1 Q13547 1/20 0.45
▸ HTR1A P08908 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ ADRA2B P18089 1/20 0.43
▸ ADRA2C P18825 1/20 0.43
▸ DRD1 P21728 1/20 0.43
▸ HRH2 P25021 1/20 0.43
▸ HTR1B P28222 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ HTR1E P28566 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ TMEM97 Q5BJF2 1/20 0.43
▸ SIGMAR1 Q99720 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
SCHEMBL10073212 0.94 CYP1A2 (0.49) CYP1A2HSD17B10HTTTP53HDAC1
SCHEMBL13533056 0.88 TP53 (0.53) HTTTP53HDAC1
SCHEMBL13534535 0.82 HRH3 (0.51) HSD17B10HTTHDAC1HTR1AADRA2A
SCHEMBL13534595 0.81 MEN1 (0.57) CYP1A2HSD17B10HDAC1
SCHEMBL29234166 0.79 HTT (0.56) HTTHTR1AHRH2HTR2AHRH1
SCHEMBL29234309 0.76 HTT (0.55) HTTHTR1AHRH2HTR2AHRH1
SCHEMBL10074092 0.76 MEN1 (0.58) HSD17B10TP53HDAC1SMN1; SMN2
SCHEMBL30454657 0.75 PTGDR2 (0.44) HSD17B10HDAC1HTR1AADRA2AADRA2B
SCHEMBL22391864 0.75 PTGDR2 (0.44) HSD17B10HDAC1HTR1AADRA2AADRA2B
SCHEMBL25773741 0.73 HTT (0.61) HTTHTR1AADRA2AADRA2BADRA2C

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 6 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
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 CYP1A2 942/4885HSD17B10 3045/4885HTT 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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