SCHEMBL1121673

SCHEMBL1121673

N#Cc1ccc2oc(Cl)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 2/20 0.51
CYP2A6 P11509 1/20 0.44
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
CETP P11597 8/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PSMB5 P28074 1/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
ABCC9 O60706 1/20 0.40
HSPD1 P10809 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 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
SCHEMBL19914336 0.86 PSMB8 (0.51) PSMB8CYP2A6PSMB5NOS3NOS1
SCHEMBL29758850 0.86 PSMB8 (0.51) PSMB8CYP2A6PSMB5NOS3NOS1
SCHEMBL11443247 0.80 LMNA (0.58) PSMB8CYP2A6LMNACYP1A2MAPT
SCHEMBL31119214 0.80 LMNA (0.58) PSMB8CYP2A6LMNACYP1A2MAPT
SCHEMBL17942214 0.79 CYP2A6 (0.44) PSMB8CYP2A6S1PR1S1PR3CETP
SCHEMBL8256570 0.79 L3MBTL1 (0.51) PSMB8CYP2A6LMNAMAPTCETP
SCHEMBL12778294 0.79 CYP2A6 (0.44) PSMB8CYP2A6S1PR1S1PR3CETP
SCHEMBL2711759 0.79 CYP2A6 (0.44) PSMB8CYP2A6S1PR1S1PR3CETP
SCHEMBL5229436 0.78 PSMB8 (0.44) PSMB8CYP2A6LMNACYP1A2MAPT
SCHEMBL12707449 0.77 MAPT (0.45) PSMB8MAPTCETPHDAC6HSPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 US disclosed
US-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 US disclosed
WO-2018037223-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2018-03-01 WO disclosed
US-8772285-B2 Benzothiazoles having histamine H3 receptor activity HIGH POINT PHARMACEUTICALS, LLC (US) 2014-07-08 US disclosed
US-8772285-B2 Benzothiazoles having histamine H3 receptor activity HIGH POINT PHARMACEUTICALS, LLC (US) 2014-07-08 US disclosed
US-8772285-B2 Benzothiazoles having histamine H3 receptor activity HIGH POINT PHARMACEUTICALS, LLC (US) 2014-07-08 US disclosed
US-20130079340-A1 Benzothiazoles Having Histamine H3 Receptor Activity VTVX HOLDINGS II LLC 2013-03-28 US disclosed
US-20130079340-A1 Benzothiazoles Having Histamine H3 Receptor Activity VTVX HOLDINGS II LLC 2013-03-28 US disclosed
US-20130079340-A1 Benzothiazoles Having Histamine H3 Receptor Activity VTVX HOLDINGS II LLC 2013-03-28 US disclosed
US-8394842-B2 Benzothiazoles having histamine H3 receptor activity HIGH POINT PHARMACEUTICALS, LLC (US) 2013-03-12 US disclosed
WO-2004100881-A2 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2004-11-25 WO disclosed
US-20040224997-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION 2004-11-11 US disclosed
US-20040106655-A1 Proline derivatives and the use thereof as drugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-06-03 US disclosed
EP-1308439-A1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS WELFIDE CORPORATION (JP) 2003-05-07 EP disclosed
EP-0060426-B1 N-(2,2,2-TRIFLUOROETHYL)-N-ALKYL-AZOLYLOXYACETIC-ACID AMIDES, THEIR PREPARATION AND USE AS HERBICIDES AND INTERMEDIATES FOR THEIR PREPARATION BAYER AG (DE) 1986-04-23 EP disclosed
US-4465504-A Herbicidally active novel N-(2,2,2-trifluoroethyl)-N-alkyl-azolyloxyacetic acid amides and intermediates therefor BAYER AKTIENGESELLSCHAFT (DE) 1984-08-14 US disclosed
US-4455428-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1984-06-19 US disclosed
US-4408055-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1983-10-04 US disclosed
EP-0081730-A1 Process for the preparation of hetaryloxyacetamides BAYER AG (DE) 1983-06-22 EP disclosed
EP-0060426-A2 N-(2,2,2-trifluoroethyl)-N-alkyl-azolyloxyacetic-acid amides, their preparation and use as herbicides and intermediates for their preparation BAYER AG (DE) 1982-09-22 EP 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-20040224997-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC PSMB8 3055/4885CYP2A6 73/4885LMNA 844/4885
US-20190194179-A1 ANTIBIOTIC COMPOUNDS B3GNT2, RPN2, RPN1 PSMB8 2398/4885CYP2A6 666/4885LMNA 1548/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 PSMB8 2250/4885CYP2A6 614/4885LMNA 4479/4885
US-20130079340-A1 Benzothiazoles Having Histamine H3 Receptor Activity HRH3, HRH2, HRH4 PSMB8 2308/4885CYP2A6 3611/4885LMNA 4857/4885

“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.