SCHEMBL2581679

SCHEMBL2581679

CNC1c2ccccc2CC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.47
HTR2A P28223 3/20 0.42
HRH1 P35367 3/20 0.42
SIGMAR1 Q99720 3/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
HTR2C P28335 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
KCNH2 Q12809 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL24388766 1.00 PDPK1 (0.47) PDPK1HTR2AHRH1SIGMAR1SLC6A2
SCHEMBL2583993 0.81 PDPK1 (0.53) PDPK1HTR2AHRH1SLC6A2SLC6A4
SCHEMBL16448778 0.81 SLC6A2 (0.43) PDPK1HTR2AHRH1SLC6A2SLC6A4
SCHEMBL25522982 0.79 PDPK1 (0.42) PDPK1HTR2AHRH1SIGMAR1SLC6A2
SCHEMBL17559137 0.77 PDPK1 (0.40) PDPK1HTR2AHRH1SIGMAR1SLC6A2
SCHEMBL20833023 0.74 HDAC9 (0.38) PDPK1HTR2AHRH1SIGMAR1SLC6A2
SCHEMBL20833032 0.74 HDAC9 (0.38) PDPK1HTR2AHRH1SIGMAR1SLC6A2
SCHEMBL20833028 0.74 HDAC9 (0.38) PDPK1HTR2AHRH1SIGMAR1SLC6A2
SCHEMBL21397675 0.74 HTR2A (0.40) PDPK1HTR2AHRH1SLC6A2SLC6A4
SCHEMBL20833025 0.74 HDAC9 (0.38) PDPK1HTR2AHRH1SIGMAR1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586611-B2 Fungicidal carboxamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-11-19 US disclosed
EP-1948649-B1 FUNGICIDAL CARBOXAMIDES DU PONT (US) 2013-06-26 EP disclosed
US-20110269712-A1 Fungicidal Carboxamides BISAHA JOHN JOSEPH 2011-11-03 US disclosed
EP-1948649-A2 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-30 EP disclosed
WO-2007014290-A2 FUNGICIDAL CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-01 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 (1 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-20110269712-A1 Fungicidal Carboxamides NAT1, PFAS, CHRM1 PDPK1 2577/4885HTR2A 2824/4885HRH1 923/4885

“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.