SCHEMBL776131

SCHEMBL776131

CN(C(=O)c1csc(C2CCN(C(=O)Cn3nc(C(F)(F)F)cc3Cl)CC2)n1)[C@@H]1CCCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
XBP1 P17861 1/20 0.38
HTT P42858 1/20 0.38
IRAK4 Q9NWZ3 11/20 0.36
SPR P35270 1/20 0.35
RAB9A P51151 1/20 0.34

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
SCHEMBL4624038 1.00 MEN1 (0.38) MEN1KMT2AALDH1A1XBP1HTT
SCHEMBL29419078 0.92 GAA (0.40) MEN1KMT2AALDH1A1XBP1HTT
SCHEMBL29419093 0.92 GAA (0.40) MEN1KMT2AALDH1A1XBP1HTT
SCHEMBL29419132 0.92 GAA (0.40) MEN1KMT2AALDH1A1XBP1HTT
SCHEMBL122901 0.92 GAA (0.40) MEN1KMT2AALDH1A1XBP1HTT
SCHEMBL774937 0.92 KMT2A (0.39) MEN1KMT2AALDH1A1XBP1HTT
SCHEMBL169067 0.92 GAA (0.40) MEN1KMT2AALDH1A1XBP1HTT
SCHEMBL231822 0.92 GAA (0.40) MEN1KMT2AALDH1A1XBP1HTT
SCHEMBL774299 0.91 KMT2A (0.38) MEN1KMT2AALDH1A1XBP1HTT
SCHEMBL9903740 0.91 KMT2A (0.38) MEN1KMT2AALDH1A1XBP1HTT

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 9 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
US-20110269712-A1 Fungicidal Carboxamides BISAHA JOHN JOSEPH 2011-11-03 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-20110269712-A1 Fungicidal Carboxamides NAT1, PFAS, CHRM1 MEN1 773/4885KMT2A 404/4885ALDH1A1 649/4885
US-20120070421-A1 Synergistic Fungicidal Mixtures CYP1A2, CYP51A1, CYP3A7 MEN1 1770/4885KMT2A 3057/4885ALDH1A1 506/4885

“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.