SCHEMBL8424941

SCHEMBL8424941

O=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.62
PTPN1 P18031 3/20 0.61
KMT2A Q03164 3/20 0.60
ALDH1A1 P00352 3/20 0.60
NPSR1 Q6W5P4 2/20 0.60
UBE2N P61088 1/20 0.60
MEN1 O00255 2/20 0.54
MAPT P10636 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
NR4A1 P22736 1/20 0.51
NR4A3 Q92570 1/20 0.51
NCOA1 Q15788 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
LMNA P02545 1/20 0.51
FFAR1 O14842 4/20 0.50
S1PR1 P21453 1/20 0.50
LTK P29376 1/20 0.50
TAOK1 Q7L7X3 1/20 0.50

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
SCHEMBL13220843 0.85 RAB9A (0.53) NR4A2PTPN1KMT2AALDH1A1NPSR1
SCHEMBL12516120 0.84 NR4A2 (0.61) NR4A2PTPN1KMT2AALDH1A1NPSR1
SCHEMBL28058838 0.82 NR4A2 (0.50) NR4A2PTPN1KMT2AALDH1A1NPSR1
SCHEMBL8422956 0.81 NR4A2 (0.60) NR4A2PTPN1KMT2AALDH1A1NPSR1
SCHEMBL11562469 0.79 NR4A2 (0.63) NR4A2PTPN1KMT2AALDH1A1NPSR1
SCHEMBL13929701 0.79 NR4A2 (0.63) NR4A2PTPN1KMT2AALDH1A1NPSR1
SCHEMBL6326819 0.79 NR4A2 (0.63) NR4A2PTPN1KMT2AALDH1A1NPSR1
SCHEMBL5510087 0.78 NR4A2 (0.61) NR4A2PTPN1KMT2AALDH1A1NPSR1
SCHEMBL13220854 0.77 ALDH1A1 (0.64) KMT2AALDH1A1MEN1MAPTL3MBTL1
SCHEMBL7113042 0.77 MAOB (0.47) NR4A2PTPN1KMT2AALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017042099-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF BASILEA PHARMACEUTICA AG (CH) 2017-03-16 WO disclosed
US-9296711-B2 Substituted isoxazole amide compounds as inhibitors of stearoyl-CoA desaturase 1 (SCD1) HOFFMAN-LA ROCHE INC. (US) 2016-03-29 US disclosed
US-20150307463-A1 SUBSTITUTED ISOXAZOLE AMIDE COMPOUNDS AS INHIBITORS OF STEAROYL-COA DESATURASE 1 (SCD1) HOFFMANN-LA ROCHE INC. 2015-10-29 US disclosed
EP-2925751-A1 SUBSTITUTED ISOXAZOLE AMIDE COMPOUNDS AS INHIBITORS OF STEAROYL-COA DESATURASE 1 (SCD1) F. Hoffmann-La Roche AG (CH) 2015-10-07 EP disclosed
WO-2014086704-A1 SUBSTITUTED ISOXAZOLE AMIDE COMPOUNDS AS INHIBITORS OF STEAROYL-COA DESATURASE 1 (SCD1) F. HOFFMANN-LA ROCHE AG (CH) 2014-06-12 WO disclosed
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2014-05-01 US disclosed
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2014-05-01 US disclosed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 US disclosed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 US disclosed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
WO-2010093704-A1 AGONISTS AND ANTAGONISTS OF THE S1P5 RECEPTOR, AND METHODS OF USES THEREOF ABBOTT LABORATORIES (US) 2010-08-19 WO disclosed
EP-0740654-B1 MONOAMINE OXIDASE B INHIBITORS, PROCESSES FOR THEIR PREPARATION AND USE THEREOF MAYOLY SPINDLER LAB (FR) 1999-10-13 EP disclosed
US-5811456-A TREATMENT OF ALZHEIMER'S DISEASE LABORATOIRES MAYOLY SPINDLER (FR) 1998-09-22 US disclosed
EP-0740654-A1 MONOAMINE OXIDASE B INHIBITORS, PROCESSES FOR THEIR PREPARATION AND USE THEREOF LABORATOIRES MAYOLY SPINDLER (FR) 1996-11-06 EP disclosed
WO-1995019960-A1 MONOAMINE OXIDASE B INHIBITORS, PROCESSES FOR THEIR PREPARATION AND USE THEREOF LABORATOIRES MAYOLY SPINDLER (FR) 1995-07-27 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 (4 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-20150307463-A1 SUBSTITUTED ISOXAZOLE AMIDE COMPOUNDS AS INHIBITORS OF STEAROYL-COA DESATURASE 1 (SCD1) SCD, SCD5, CPT1A NR4A2 3511/4885PTPN1 3835/4885KMT2A 2886/4885
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, KCNB2, SCNN1B NR4A2 1469/4885PTPN1 3286/4885KMT2A 2744/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 NR4A2 2118/4885PTPN1 2977/4885KMT2A 3151/4885
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof S1PR5, LPAR5, S1PR1 NR4A2 1522/4885PTPN1 2289/4885KMT2A 1154/4885

“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.