SCHEMBL12192038

SCHEMBL12192038

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 3/20 0.52
▸ MAOB P27338 1/20 0.49
▸ KDM4E B2RXH2 3/20 0.47
▸ SNCA P37840 2/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ BRD4 O60885 1/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 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
SCHEMBL10082377 0.81 KDM4E (0.47) MAOBKDM4ESNCACA9SMN1; SMN2
SCHEMBL30516134 0.74 MEN1 (0.58) KDM4EALDH1A1HPGDLMNAKMT2A
SCHEMBL30625697 0.74 TP53 (0.55) KDM4EALDH1A1LMNAKMT2ATP53
SCHEMBL20211622 0.74 MEN1 (0.58) KDM4EALDH1A1HPGDLMNAKMT2A
SCHEMBL7931362 0.74 KMT2A (0.52) KDM4ESMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL10086123 0.71 NPC1 (0.67) KDM4ECA9SMN1; SMN2ALDH1A1HPGD
SCHEMBL177468 0.71 TRPV1 (0.81) TRPV1KDM4ESMN1; SMN2HPGDKMT2A
SCHEMBL387376 0.71 TRPV1 (0.81) TRPV1KDM4EKMT2ANPC1RAB9A
SCHEMBL15388096 0.71 MAOB (0.64) MAOBKDM4ECA9SMN1; SMN2ALDH1A1
SCHEMBL10085122 0.69 CA9 (0.65) KDM4ECA9ALDH1A1HPGDHSD17B10

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-8029765-B2 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors MASIMO LABORATORIES, INC. (US) 2011-10-04 — — 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-20090004108-A1 Smmr (Small Molecule Metabolite Reporters) For Use As In Vivo Glucose Biosensors MASIMO LABORATORIES, INC. (US) 2009-01-01 — — 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 (2 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-20070110672-A1 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors GCKR, SYMPK, SUCNR1 TRPV1 3362/4885MAOB 4250/4885KDM4E 2343/4885
US-20090004108-A1 Smmr (Small Molecule Metabolite Reporters) For Use As In Vivo Glucose Biosensors GCKR, SYMPK, SUCNR1 TRPV1 3362/4885MAOB 4250/4885KDM4E 2343/4885

“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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