SCHEMBL272849

SCHEMBL272849

CC(CC(C)(C)C)c1ccccc1NC(=O)c1c(C(F)(F)F)nn(C)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 6/20 0.40
CYP3A4 P08684 6/20 0.40
CYP2C19 P33261 6/20 0.40
CYP2C9 P11712 5/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 7/20 0.39
GAA P10253 4/20 0.39
CYP2D6 P10635 4/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 2/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
GLA P06280 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
SCHEMBL14209157 0.92 LMNA (0.42) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL272690 0.89 LMNA (0.55) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL274213 0.89 LMNA (0.44) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL4822170 0.89 LMNA (0.44) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL14364835 0.88 PKM (0.39) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL169663 0.88 PKM (0.39) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL29392856 0.88 PKM (0.39) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL14364834 0.88 PKM (0.39) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL14209202 0.87 LMNA (0.42) LMNASMN1; SMN2CYP1A2CYP3A4CYP2C19
Formic Acid SCHEMBL28074001 0.84 PKM (0.38) SMN1; SMN2CYP1A2CYP3A4CYP2C19CYP2C9

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 128 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140213557-A1 Active Compound Combinations BAYER CROPSCIENCE AG (DE) 2014-07-31 US claimed
CN-101212899-B Carboxamides BAYER CROPSCIENCE AG 2012-11-21 CN claimed
US-20110152097-A1 Active Compound Combinations BAYER CROPSCIENCE AG (DE) 2011-06-23 US claimed
EP-2255651-A2 Agent combinations Bayer CropScience AG (DE) 2010-12-01 EP claimed
EP-2255644-A2 Agent combinations Bayer CropScience AG (DE) 2010-12-01 EP claimed
US-20100016339-A1 FUNGICIDAL COMPOUNDS AND COMPOSITIONS SYNGENTA CROP PROTECTION, INC. (US) 2010-01-21 US claimed
EP-2132989-A2 Agent combinations Bayer CropScience AG (DE) 2009-12-16 EP claimed
US-20090286681-A1 Synergistic Fungicidal Active Compounde Combinations Containing a Carboxamide, an Azole, a Second Azole or a Strobilurin BAYER CROPSCIENCE AG (DE) 2009-11-19 US claimed
US-20090105311-A1 Carboxamides BAYER CROPSCIENCE AG (DE) 2009-04-23 US claimed
EP-2046124-A2 FUNGICIDAL COMPOUNDS AND COMPOSITIONS Syngeta Participations AG (CH) 2009-04-15 EP claimed
US-20080269263-A1 Synergistic Fungidical Active Substance Combinations BAYER CROPSCIENCE AG (DE) 2008-10-30 US claimed
EP-1916894-A1 SYNERGISTIC FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS CONTAINING A CARBOXAMIDE, AN AZOLE, A SECOND AZOLE OR A STROBILURINE Bayer CropScience Aktiengesellschaft (DE) 2008-05-07 EP claimed
EP-1890540-A2 CARBOXAMIDES Bayer CropScience AG (DE) 2008-02-27 EP claimed
WO-2008014955-A2 FUNGICIDAL COMPOUNDS AND COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2008-02-07 WO claimed
WO-2007031141-A1 SYNERGISTIC FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS CONTAINING A CARBOXAMIDE, AN AZOLE, A SECOND AZOLE OR A STROBILURINE BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-03-22 WO claimed
WO-2006131221-A2 CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2006-12-14 WO claimed
US-9717247-B2 Synergistic fungicidal active combinations BAYER CROPSCIENCE AG (DE) 2017-08-01 US disclosed
EP-2129223-B1 FUNGICIDAL COMPOSITIONS COMPRISING A CARBOXAMIDE DERIVATIVE, CYPRODINIL AND AN UNSATURATED FATTY ACID SYNGENTA PARTICIPATIONS AG (CH) 2016-12-14 EP disclosed
WO-2007031141-A1 SYNERGISTIC FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS CONTAINING A CARBOXAMIDE, AN AZOLE, A SECOND AZOLE OR A STROBILURINE BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-03-22 WO disclosed
WO-2007031141-A1 SYNERGISTIC FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS CONTAINING A CARBOXAMIDE, AN AZOLE, A SECOND AZOLE OR A STROBILURINE BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-03-22 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 (6 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-20110152097-A1 Active Compound Combinations AGXT, GLUL, GMNN LMNA 3752/4885SMN1; SMN2 3746/4885CYP1A2 2139/4885
US-20080269263-A1 Synergistic Fungidical Active Substance Combinations ERG28, MANBA, MAN2A1 LMNA 2739/4885SMN1; SMN2 4848/4885CYP1A2 229/4885
US-20100016339-A1 FUNGICIDAL COMPOUNDS AND COMPOSITIONS CYP4F3, CBR3, CYP4B1 LMNA 3060/4885SMN1; SMN2 3911/4885CYP1A2 67/4885
US-20090105311-A1 Carboxamides NAAA, CBR3, CNR1 LMNA 2376/4885SMN1; SMN2 2586/4885CYP1A2 372/4885
US-20140213557-A1 Active Compound Combinations AGXT, GLUL, GMNN LMNA 3752/4885SMN1; SMN2 3746/4885CYP1A2 2139/4885
US-20090286681-A1 Synergistic Fungicidal Active Compounde Combinations Containing a Carboxamide, an Azole, a Second Azole or a Strobilurin MGAM, SUCLG1, MGAM2 LMNA 4144/4885SMN1; SMN2 3656/4885CYP1A2 230/4885

“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.