SCHEMBL778489

SCHEMBL778489

Cc1ccc(C)c(CC(=O)N2CCC(c3nc(C(=O)N(C)[C@@H]4CCCc5ccccc54)cs3)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.39
SPR P35270 2/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
RAB9A P51151 1/20 0.36
FAAH O00519 1/20 0.36
P4HB P07237 1/20 0.36
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
TMEM97 Q5BJF2 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
EPHX2 P34913 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL2581301 0.91 KMT2A (0.39) ALDH1A1XBP1HTTSPRMEN1
SCHEMBL15049603 0.87 ALDH1A1 (0.39) ALDH1A1XBP1HTTSPRMEN1
SCHEMBL4759981 0.86 HTT (0.41) ALDH1A1XBP1HTTSPRMEN1
SCHEMBL775883 0.86 HTT (0.41) ALDH1A1XBP1HTTSPRMEN1
SCHEMBL4789205 0.86 KMT2A (0.42) ALDH1A1XBP1HTTMEN1KMT2A
SCHEMBL2586402 0.86 KMT2A (0.42) ALDH1A1XBP1HTTMEN1KMT2A
SCHEMBL2584884 0.85 ALDH1A1 (0.39) ALDH1A1XBP1HTTSPRMEN1
SCHEMBL2578184 0.84 SPR (0.40) ALDH1A1XBP1HTTSPRMEN1
SCHEMBL5139147 0.83 ALDH1A1 (0.41) ALDH1A1XBP1HTTSPRMEN1
SCHEMBL2584875 0.83 ALDH1A1 (0.38) ALDH1A1XBP1HTTSPRMEN1

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 12 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 claimed
EP-1948649-B1 FUNGICIDAL CARBOXAMIDES DU PONT (US) 2013-06-26 EP claimed
EP-2437604-A2 SYNERGISTIC FUNGICIDAL MIXTURES BASF SE (DE) 2012-04-11 EP claimed
US-20120070421-A1 Synergistic Fungicidal Mixtures BASF SE (DE) 2012-03-22 US claimed
US-20110269712-A1 Fungicidal Carboxamides BISAHA JOHN JOSEPH 2011-11-03 US claimed
WO-2010139656-A2 SYNERGISTIC FUNGICIDAL MIXTURES BASF SE (DE) 2010-12-09 WO claimed
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
EP-2437604-A2 SYNERGISTIC FUNGICIDAL MIXTURES BASF SE (DE) 2012-04-11 EP disclosed
US-20120070421-A1 Synergistic Fungicidal Mixtures BASF SE (DE) 2012-03-22 US disclosed
US-20110269712-A1 Fungicidal Carboxamides BISAHA JOHN JOSEPH 2011-11-03 US disclosed
WO-2010139656-A2 SYNERGISTIC FUNGICIDAL MIXTURES BASF SE (DE) 2010-12-09 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 (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-20110269712-A1 Fungicidal Carboxamides NAT1, PFAS, CHRM1 ALDH1A1 649/4885XBP1 2977/4885HTT 3478/4885
US-20120070421-A1 Synergistic Fungicidal Mixtures CYP1A2, CYP51A1, CYP3A7 ALDH1A1 506/4885XBP1 2955/4885HTT 4102/4885

“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.