SCHEMBL8422956

SCHEMBL8422956

O=Cc1ccc(OCc2ccccc2Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.60
LMNA P02545 2/20 0.60
POLB P06746 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
PTPN1 P18031 2/20 0.59
MAOB P27338 3/20 0.59
MAOA P21397 1/20 0.59
MAPT P10636 3/20 0.58
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
HTT P42858 1/20 0.58
RAD52 P43351 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
RAB9A P51151 3/20 0.53
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49

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
SCHEMBL7170719 0.86 NR4A2 (0.71) NR4A2LMNAPOLBTDP1PTPN1
SCHEMBL31384429 0.85 NPC1 (0.51) NR4A2LMNAPOLBTDP1PTPN1
SCHEMBL8985589 0.83 NPC1 (0.68) NR4A2LMNAPOLBTDP1PTPN1
SCHEMBL6602394 0.81 SMN1; SMN2 (0.57) LMNAPOLBTDP1MAOBMAOA
SCHEMBL8424941 0.81 NR4A2 (0.62) NR4A2LMNAPOLBPTPN1MAPT
SCHEMBL2168244 0.80 TSHR (0.60) LMNAMAOBMAPTKMT2AMEN1
SCHEMBL15774723 0.80 ALDH1A1 (0.59) LMNAPTPN1MAOBMAPTKMT2A
SCHEMBL30903806 0.80 ALDH1A1 (0.54) LMNAPOLBTDP1PTPN1MAOB
SCHEMBL498283 0.80 MAOB (0.60) LMNAMAOBMAPTKMT2AMEN1
SCHEMBL9812484 0.80 NR4A2 (0.69) NR4A2LMNAPOLBTDP1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9884832-B2 Inhibitors targeting drug-resistant influenza A THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-02-06 US 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
US-20150191439-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-07-09 US 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
WO-2013086131-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-06-13 WO 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 (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-20150307463-A1 SUBSTITUTED ISOXAZOLE AMIDE COMPOUNDS AS INHIBITORS OF STEAROYL-COA DESATURASE 1 (SCD1) SCD, SCD5, CPT1A NR4A2 3511/4885LMNA 2082/4885POLB 3361/4885
US-20150191439-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A HAVCR2, HDLBP, HSP90B1 NR4A2 1587/4885LMNA 1831/4885POLB 2876/4885
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof S1PR5, LPAR5, S1PR1 NR4A2 1522/4885LMNA 1780/4885POLB 4840/4885

“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.