SCHEMBL10082377

SCHEMBL10082377

O=C(Nc1ccc2oc(=O)c3ccccc3c2c1)c1ccc(OBO)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.47
▸ MAOB P27338 2/20 0.46
▸ SNCA P37840 2/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ MCHR1 Q99705 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ BRD4 O60885 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ RXFP1 Q9HBX9 2/20 0.42
▸ PPARG P37231 1/20 0.42
▸ NCOA2 Q15596 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL12192038 0.81 TRPV1 (0.52) KDM4EMAOBSNCACA9SMN1; SMN2
SCHEMBL16351757 0.73 MEN1 (0.62) KDM4ESMN1; SMN2NPC1RAB9AMEN1
SCHEMBL30516134 0.71 MEN1 (0.58) KDM4EALDH1A1LMNAHPGDMEN1
SCHEMBL30625697 0.71 TP53 (0.55) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL20211622 0.71 MEN1 (0.58) KDM4EALDH1A1LMNAHPGDMEN1
SCHEMBL7931362 0.71 KMT2A (0.52) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL15388096 0.68 MAOB (0.64) KDM4EMAOBCA9SMN1; SMN2ALDH1A1
SCHEMBL805015 0.66 LMNA (0.55) KDM4ESMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL15832744 0.66 KMT2A (0.56) KDM4ECA9SMN1; SMN2ALDH1A1LMNA
SCHEMBL28395676 0.65 RAB9A (0.48) KDM4EMAOBCA9SMN1; SMN2ALDH1A1

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
US-20140127137-A1 SMMR (SMALL MOLECULE METABOLITE REPORTERS) FOR USE AS IN VIVO GLUCOSE BIOSENSORS Cercacor Laboratories, Inc (US) 2014-05-08 — — US disclosed
US-8466286-B2 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors CERCACOR LABORATORIES, INC. (US) 2013-06-18 — — US disclosed
US-20120052018-A1 SMMR (SMALL MOLECULE METABOLITE REPORTERS) FOR USE AS IN VIVO GLUCOSE BIOSENSORS MASIMO LABORATORIES, INC. (US) 2012-03-01 — — US disclosed
US-8008088-B2 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors MASIMO LABORATORIES, INC. (US) 2011-08-30 — — US disclosed
US-20070110672-A1 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors CERCACOR LABORATORIES, INC. 2007-05-17 — — 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 (3 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-20140127137-A1 SMMR (SMALL MOLECULE METABOLITE REPORTERS) FOR USE AS IN VIVO GLUCOSE BIOSENSORS GCKR, SYMPK, SUCNR1 KDM4E 2343/4885MAOB 4250/4885SNCA 4430/4885
US-20070110672-A1 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors GCKR, SYMPK, SUCNR1 KDM4E 2343/4885MAOB 4250/4885SNCA 4430/4885
US-20120052018-A1 SMMR (SMALL MOLECULE METABOLITE REPORTERS) FOR USE AS IN VIVO GLUCOSE BIOSENSORS GCKR, SYMPK, SUCNR1 KDM4E 2343/4885MAOB 4250/4885SNCA 4430/4885

“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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