SCHEMBL774299

SCHEMBL774299

CCc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C(=O)N(C)[C@@H]3CCCc4ccccc43)cs2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 2/20 0.36
XBP1 P17861 1/20 0.36
HTT P42858 1/20 0.36
SPR P35270 2/20 0.35
RAB9A P51151 1/20 0.33
ENPP2 Q13822 1/20 0.32
IRAK4 Q9NWZ3 4/20 0.32
RBP4 P02753 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
GAA P10253 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL9903740 1.00 KMT2A (0.38) KMT2AMEN1ALDH1A1XBP1HTT
SCHEMBL774937 0.92 KMT2A (0.39) KMT2AMEN1ALDH1A1XBP1HTT
SCHEMBL29419078 0.92 GAA (0.40) KMT2AMEN1ALDH1A1XBP1HTT
SCHEMBL29419132 0.92 GAA (0.40) KMT2AMEN1ALDH1A1XBP1HTT
SCHEMBL122901 0.92 GAA (0.40) KMT2AMEN1ALDH1A1XBP1HTT
SCHEMBL169067 0.92 GAA (0.40) KMT2AMEN1ALDH1A1XBP1HTT
SCHEMBL29419093 0.92 GAA (0.40) KMT2AMEN1ALDH1A1XBP1HTT
SCHEMBL231822 0.92 GAA (0.40) KMT2AMEN1ALDH1A1XBP1HTT
SCHEMBL4624038 0.91 MEN1 (0.38) KMT2AMEN1ALDH1A1XBP1HTT
SCHEMBL776131 0.91 MEN1 (0.38) KMT2AMEN1ALDH1A1XBP1HTT

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
EP-3281526-A1 COMPOSITION COMPRISING A BIOLOGICAL CONTROL AGENT AND A FUNGICIDE Bayer CropScience Aktiengesellschaft (DE) 2018-02-14 EP claimed
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
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
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
WO-2012077061-A1 PESTICIDAL MIXTURES BASF SE (DE) 2012-06-14 WO 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 KMT2A 404/4885MEN1 773/4885ALDH1A1 649/4885
US-20120070421-A1 Synergistic Fungicidal Mixtures CYP1A2, CYP51A1, CYP3A7 KMT2A 3057/4885MEN1 1770/4885ALDH1A1 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.