Sugi Predict

Sugi Predict / Compounds / SCHEMBL6791192

SCHEMBL6791192

SCHEMBL6791192

O=Cc1ccc(Oc2ccc(Cl)cn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.62
▸ KDM4E B2RXH2 3/20 0.62
▸ L3MBTL1 Q9Y468 3/20 0.62
▸ POLB P06746 2/20 0.49
▸ CASP6 P55212 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.48
▸ LIPE Q05469 1/20 0.48
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ GAA P10253 1/20 0.42
▸ SCN9A Q15858 2/20 0.42
▸ HTT P42858 1/20 0.41
▸ CYP2A6 P11509 1/20 0.40
▸ PARP10 Q53GL7 1/20 0.40
▸ PARP3 Q9Y6F1 1/20 0.40
▸ HAO1 Q9UJM8 1/20 0.40
▸ LTA4H P09960 1/20 0.40

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
SCHEMBL30703390 0.90 ALDH1A1 (0.71) ALDH1A1KDM4EL3MBTL1POLBCASP6
SCHEMBL6142793 0.90 ALDH1A1 (0.71) ALDH1A1KDM4EL3MBTL1POLBCASP6
SCHEMBL31621360 0.86 ALDH1A1 (0.81) ALDH1A1KDM4EL3MBTL1POLBCASP6
SCHEMBL1034857 0.81 ALDH1A1 (0.54) ALDH1A1KDM4EL3MBTL1POLBSMN1; SMN2
SCHEMBL8684262 0.81 LIPE (0.51) ALDH1A1KDM4EL3MBTL1POLBSMN1; SMN2
SCHEMBL16762109 0.80 ALDH1A1 (0.82) ALDH1A1KDM4EL3MBTL1POLBCASP6
SCHEMBL13285602 0.80 KDM4E (0.63) ALDH1A1KDM4EL3MBTL1POLBCASP6
SCHEMBL580148 0.80 ALDH1A1 (0.62) ALDH1A1KDM4EL3MBTL1POLBCASP6
SCHEMBL9889560 0.80 KDM4E (0.82) ALDH1A1KDM4EL3MBTL1POLBCASP6
SCHEMBL2267829 0.78 HSD17B10 (0.73) ALDH1A1KDM4EPOLBCASP6SMN1; SMN2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 — — US disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 — — US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 — — US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 — — US disclosed
US-20130303568-A1 Substituted 2-Aminoacetamides and the Use Thereof PURDUE NEUROSCIENCE COMPANY (US) 2013-11-14 — — US disclosed
US-20130303568-A1 Substituted 2-Aminoacetamides and the Use Thereof PURDUE NEUROSCIENCE COMPANY (US) 2013-11-14 — — US disclosed
US-8426431-B2 Substituted 2-aminoacetamides and the use thereof PURDUE NEUROSCIENCE COMPANY (US) 2013-04-23 — — US disclosed
US-8426431-B2 Substituted 2-aminoacetamides and the use thereof PURDUE NEUROSCIENCE COMPANY (US) 2013-04-23 — — US disclosed
EP-2201945-B1 Use of substituted 2-aminoacetamides for treating or ameliorating anxiety PURDUE NEUROSCIENCE COMPANY (US) 2013-03-06 — — EP disclosed
EP-2201944-B1 Use of substituted 2-aminoacetamides for treating, preventing or ameliorating manic depression PURDUE NEUROSCIENCE COMPANY (US) 2012-05-23 — — EP disclosed
US-20090240053-A1 Substituted 2-Aminoacetamides and the Use Thereof PURDUE NEUROSCIENCE COMPANY (US) 2009-09-24 — — US disclosed
WO-2009071504-A1 2,6-DISUBSTITUTED PYRIDINES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 — — WO disclosed
US-7541465-B2 Substituted 2-aminoacetamides and the use thereof PURDUE NEUROSCIENCE COMPANY (US) 2009-06-02 — — US disclosed
US-7541465-B2 Substituted 2-aminoacetamides and the use thereof PURDUE NEUROSCIENCE COMPANY (US) 2009-06-02 — — US disclosed
US-20040147573-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-29 — — US disclosed
US-20040110809-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-06-10 — — US disclosed
EP-1370536-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 — — EP disclosed
EP-1370538-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 — — EP disclosed
WO-2002074752-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 — — WO disclosed
WO-2002074750-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 — — WO 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 (5 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-20040110809-A1 Metalloproteinase inhibitors MMP9, MMP2, MMP3 ALDH1A1 294/4885KDM4E 2088/4885L3MBTL1 3691/4885
US-20090240053-A1 Substituted 2-Aminoacetamides and the Use Thereof SLC1A2, GAP43, SCN2A ALDH1A1 77/4885KDM4E 1815/4885L3MBTL1 2361/4885
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND EGLN2, EGLN3, EGLN1 ALDH1A1 2293/4885KDM4E 23/4885L3MBTL1 3915/4885
US-20130303568-A1 Substituted 2-Aminoacetamides and the Use Thereof SLC1A2, GAP43, SCN2A ALDH1A1 41/4885KDM4E 2082/4885L3MBTL1 2005/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 ALDH1A1 1250/4885KDM4E 2227/4885L3MBTL1 3113/4885

“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.