SCHEMBL3258665

SCHEMBL3258665

Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(CN(C=O)[C@@H]3CCCc4ccccc43)cs2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
CCR1 P32246 1/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 2/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SPR P35270 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
P4HB P07237 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL3139233 0.91 GAA (0.40) GAACCR1KDM4EPOLBTSHR
SCHEMBL4553899 0.91 GAA (0.40) GAACCR1KDM4EPOLBTSHR
SCHEMBL3148191 0.90 GAA (0.39) GAACCR1KDM4EPOLBTSHR
SCHEMBL29419078 0.84 GAA (0.40) GAACCR1KDM4EPOLBTSHR
SCHEMBL29419132 0.84 GAA (0.40) GAACCR1KDM4EPOLBTSHR
SCHEMBL231822 0.84 GAA (0.40) GAACCR1KDM4EPOLBTSHR
SCHEMBL122901 0.84 GAA (0.40) GAACCR1KDM4EPOLBTSHR
SCHEMBL169067 0.84 GAA (0.40) GAACCR1KDM4EPOLBTSHR
SCHEMBL29419093 0.84 GAA (0.40) GAACCR1KDM4EPOLBTSHR
SCHEMBL3134752 0.84 GAA (0.43) GAACCR1KDM4EPOLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121660-B1 FUNGICIDAL AMIDES DU PONT (US) 2014-12-31 EP claimed
US-8420673-B2 Fungicidal amides E I DU PONT DE NEMOURS AND COMPANY (US) 2013-04-16 US claimed
US-20100004288-A1 FUNGICIDAL AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-01-07 US claimed
EP-2121660-B1 FUNGICIDAL AMIDES DU PONT (US) 2014-12-31 EP disclosed
US-8420673-B2 Fungicidal amides E I DU PONT DE NEMOURS AND COMPANY (US) 2013-04-16 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 (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-20100004288-A1 FUNGICIDAL AMIDES NAT1, NOX1, Q6ZSR9 GAA 90/4885CCR1 1678/4885KDM4E 1591/4885

“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.