SCHEMBL2404477

SCHEMBL2404477

CC[C@@H]([N]C)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.59
NOS3 P29474 1/20 0.55
NOS2 P35228 1/20 0.55
LMNA P02545 2/20 0.48
HKDC1 Q2TB90 1/20 0.38
TRPA1 O75762 1/20 0.38
TAAR1 Q96RJ0 4/20 0.38
HTR2A P28223 3/20 0.38
HRH1 P35367 2/20 0.38
AOC3 Q16853 1/20 0.37
CYP2C19 P33261 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL919175 1.00 MIF (0.59) MIFNOS3NOS2LMNAHKDC1
SCHEMBL7115158 0.83 MIF (0.61) MIFNOS3NOS2LMNAHKDC1
SCHEMBL7097516 0.83 MIF (0.61) MIFNOS3NOS2LMNAHKDC1
SCHEMBL919486 0.82 MIF (0.46) MIFNOS3NOS2LMNATAAR1
SCHEMBL13594117 0.79 MIF (0.57) MIFNOS3NOS2LMNAHKDC1
SCHEMBL9921621 0.79 MIF (0.57) MIFNOS3NOS2LMNAHKDC1
SCHEMBL4199092 0.79 TRPA1 (0.45) MIFNOS3NOS2LMNATRPA1
SCHEMBL920068 0.79 MIF (0.43) MIFNOS3NOS2LMNAHTR2A
SCHEMBL8634299 0.77 SIGMAR1 (0.46) MIFTRPA1TAAR1HTR2AHRH1
SCHEMBL11174381 0.76 HRH1 (0.56) MIFNOS3NOS2TAAR1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358709-B1 FUNGICIDAL HETEROCYCLIC COMPOUNDS DU PONT (US) 2014-01-22 EP disclosed
US-8618137-B2 Fungicidal heterocyclic compounds E I DU PONT DE NEMOURS AND COMPANY (US) 2013-12-31 US disclosed
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-8420673-B2 Fungicidal amides E I DU PONT DE NEMOURS AND COMPANY (US) 2013-04-16 US disclosed
US-20110269712-A1 Fungicidal Carboxamides BISAHA JOHN JOSEPH 2011-11-03 US disclosed
US-20110224258-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (DE) 2011-09-15 US disclosed
US-20100004288-A1 FUNGICIDAL AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-01-07 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 (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-20110269712-A1 Fungicidal Carboxamides NAT1, PFAS, CHRM1 MIF 3529/4885NOS3 811/4885NOS2 935/4885
US-20110224258-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS NOX1, XDH, CBR1 MIF 4006/4885NOS3 105/4885NOS2 240/4885
US-20100004288-A1 FUNGICIDAL AMIDES NAT1, NOX1, Q6ZSR9 MIF 3760/4885NOS3 60/4885NOS2 119/4885

“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.