SCHEMBL2580001

SCHEMBL2580001

Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C(=O)Cl)cs2)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
CCR1 P32246 2/20 0.47
LMNA P02545 3/20 0.40
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 2/20 0.38
TSHR P16473 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
SPR P35270 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
SCHEMBL2509441 0.92 GAA (0.50) GAACCR1LMNATP53L3MBTL1
SCHEMBL121172 0.92 GAA (0.50) GAACCR1LMNATP53L3MBTL1
SCHEMBL15921573 0.91 GAA (0.46) GAACCR1LMNATP53L3MBTL1
SCHEMBL15921575 0.91 GAA (0.46) GAACCR1LMNATP53L3MBTL1
SCHEMBL1879570 0.91 GAA (0.49) GAACCR1LMNATP53L3MBTL1
SCHEMBL8512452 0.91 GAA (0.49) GAACCR1LMNATP53L3MBTL1
SCHEMBL1879572 0.90 GAA (0.48) GAACCR1LMNATP53L3MBTL1
SCHEMBL12186082 0.90 GAA (0.48) GAACCR1LMNATP53L3MBTL1
SCHEMBL12475143 0.89 GAA (0.48) GAACCR1LMNATP53L3MBTL1
SCHEMBL2598636 0.88 GAA (0.47) GAACCR1LMNATP53L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101228156-B Fungicidal carboxamides DU PONT 2012-07-18 CN claimed
EP-2121660-B1 FUNGICIDAL AMIDES DU PONT (US) 2014-12-31 EP disclosed
CN-101622245-B Fungicidal amides DU PONT 2014-09-10 CN 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
CN-101228156-B Fungicidal carboxamides DU PONT 2012-07-18 CN disclosed
US-20110269712-A1 Fungicidal Carboxamides BISAHA JOHN JOSEPH 2011-11-03 US disclosed
US-20100004288-A1 FUNGICIDAL AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-01-07 US disclosed
EP-2121660-A2 FUNGICIDAL AMIDES E. I. Du Pont de Nemours and Company (US) 2009-11-25 EP disclosed
WO-2008091594-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed
WO-2008091580-A2 FUNGICIDAL AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed
EP-1948649-A2 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-30 EP disclosed
WO-2007014290-A2 FUNGICIDAL CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-01 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 GAA 421/4885CCR1 1540/4885LMNA 2084/4885
US-20100004288-A1 FUNGICIDAL AMIDES NAT1, NOX1, Q6ZSR9 GAA 90/4885CCR1 1678/4885LMNA 3434/4885

“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.