SCHEMBL71764

SCHEMBL71764

O=C(O)CNC(=O)c1cc(-c2cccnc2)[nH]n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.49
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
PRKAB2 O43741 1/20 0.46
PRKAG1 P54619 1/20 0.46
PRKAA2 P54646 1/20 0.46
PRKAA1 Q13131 1/20 0.46
PRKAG3 Q9UGI9 1/20 0.46
PRKAG2 Q9UGJ0 1/20 0.46
PRKAB1 Q9Y478 1/20 0.46
NAMPT P43490 1/20 0.44
HPGDS O60760 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43

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
SCHEMBL69243 0.87 RAB9A (0.50) RAB9ASMN1; SMN2ALDH1A1EGLN1MME
SCHEMBL3418973 0.84 ALDH1A1 (0.51) KMT2AALDH1A1CYP1A2CYP3A4PRKAB2
SCHEMBL3474810 0.84 ALDH1A1 (0.46) RAB9AKMT2ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL1759178 0.81 CYP3A4 (0.57) KMT2AALDH1A1CYP1A2CYP3A4HPGDS
Hydrochloric Acid SCHEMBL71016 0.80 CYP3A4 (0.55) KMT2AALDH1A1CYP1A2CYP3A4HPGDS
SCHEMBL12467859 0.79 NAMPT (0.73) NAMPT
SCHEMBL71738 0.78 EGLN1 (0.51) RAB9ASMN1; SMN2HDAC6EGLN1
SCHEMBL19440820 0.78 EPHX2 (0.57) RAB9AKMT2ASMN1; SMN2ALDH1A1HDAC3
SCHEMBL3417205 0.77 CYP3A4 (0.55) ALDH1A1CYP1A2CYP3A4HPGDSPIM1
SCHEMBL12647964 0.76 CYP1A2 (0.51) ALDH1A1CYP1A2CYP3A4HPGDSGSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593447-B1 3-PYRIDYL-HETEROARYLCARBOXAMIDE COMPOUNDS AS PESTICIDES BAYER IP GMBH (DE) 2016-08-17 EP disclosed
US-9233951-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-12 US disclosed
US-9233951-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-12 US disclosed
US-20120094837-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROP SCIENCE AG (DE) 2012-04-19 US disclosed
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
WO-2012007500-A2 NEW HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2012-01-19 WO disclosed
CN-102036558-A Novel piperidine derivatives as stearoyl-CoA desaturase inhibitors FOREST LAB HOLDINGS LTD 2011-04-27 CN disclosed
EP-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 EP disclosed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 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-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 EGLN3 270/4885RAB9A 3858/4885KMT2A 1352/4885
US-20120094837-A1 Novel Heterocyclic Compounds as Pesticides DDT, PTMS, ACHE EGLN3 1081/4885RAB9A 717/4885KMT2A 2260/4885

“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.