SCHEMBL16009898

SCHEMBL16009898

COc1ccc2c(c1)cc(B(O)O)n2C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ HPGD P15428 2/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ MAOA P21397 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ ROCK1 Q13464 1/20 0.43
▸ MAPT P10636 4/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ENPP2 Q13822 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2A6 P11509 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 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
SCHEMBL13923709 0.78 CA12 (0.43) ALDH1A1SMN1; SMN2L3MBTL1KDM4EHPGD
SCHEMBL3965642 0.77 MAPT (0.49) L3MBTL1ROCK1MAPTMEN1KMT2A
SCHEMBL29951155 0.77 MAPT (0.49) L3MBTL1ROCK1MAPTMEN1KMT2A
SCHEMBL29953078 0.76 KDM4E (0.54) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL29951367 0.76 RXFP1 (0.47) KDM4EMAPTMEN1KMT2A
SCHEMBL5071871 0.75 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2L3MBTL1KDM4EHPGD
SCHEMBL19539121 0.75 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2L3MBTL1KDM4EHPGD
SCHEMBL16023576 0.74 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2L3MBTL1KDM4EHPGD
SCHEMBL7971117 0.73 MAOA (0.58) ALDH1A1SMN1; SMN2L3MBTL1KDM4EHPGD
SCHEMBL29187769 0.73 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2L3MBTL1KDM4EHPGD

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160228437-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. 2016-08-11 — — US disclosed
US-20160228437-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. 2016-08-11 — — US disclosed
US-20160228437-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. 2016-08-11 — — US disclosed
US-9370515-B2 Mixed lineage kinase inhibitors and method of treatments Califia Bio, Inc. (US) 2016-06-21 — — US disclosed
US-9370515-B2 Mixed lineage kinase inhibitors and method of treatments Califia Bio, Inc. (US) 2016-06-21 — — US disclosed
EP-2964230-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. (US) 2016-01-13 — — EP disclosed
WO-2014138692-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. (US) 2014-09-12 — — WO disclosed
US-20140256733-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. (US) 2014-09-11 — — US disclosed
US-20140256733-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. (US) 2014-09-11 — — 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-20160228437-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS MAP3K2, MAP3K1, MAP3K20 ALDH1A1 3770/4885SMN1; SMN2 2679/4885L3MBTL1 2389/4885
US-20140256733-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS MAP3K2, MAP3K1, MAP3K20 ALDH1A1 3770/4885SMN1; SMN2 2679/4885L3MBTL1 2389/4885

“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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