SCHEMBL3143993

SCHEMBL3143993

Cc1nc(C(F)F)c(C(=O)Nc2ccccc2C2CC3CCC2C3)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 3/20 0.36
NPC1 O15118 2/20 0.36
RECQL P46063 1/20 0.36
SLC6A3 Q01959 5/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
KDM1A O60341 1/20 0.35
SLC6A4 P31645 3/20 0.35
EPHX2 P34913 1/20 0.35
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
PRSS12 P56730 1/20 0.33

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
SCHEMBL13478976 0.87 NPC1 (0.36) KMT2ARAB9AMEN1NPC1SLC6A3
SCHEMBL13980917 0.82 CNR1 (0.43) KMT2ARAB9AMEN1NPC1RECQL
SCHEMBL13478938 0.81 CNR1 (0.43) KMT2ARAB9AMEN1NPC1RECQL
SCHEMBL3146828 0.81 CNR1 (0.43) KMT2ARAB9AMEN1NPC1RECQL
SCHEMBL13478984 0.80 CNR1 (0.32) KMT2AMEN1SLC6A3CNR1CNR2
SCHEMBL13478948 0.79 CNR1 (0.40) KMT2ARAB9AMEN1NPC1RECQL
SCHEMBL13478950 0.79 CNR1 (0.32) SLC6A3CNR1CNR2
SCHEMBL4658459 0.77 KMT2A (0.36) KMT2ARAB9AMEN1NPC1RECQL
SCHEMBL2448618 0.77 IRAK4 (0.43)
SCHEMBL12903702 0.77 HTT (0.51) KMT2ARAB9ANPC1RECQLKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558592-B1 THIAZOL-(BI)CYCLOALKYL-CARBOXANILIDES BAYER CROPSCIENCE AG (DE) 2010-02-17 EP disclosed
EP-1558592-B1 THIAZOL-(BI)CYCLOALKYL-CARBOXANILIDES BAYER CROPSCIENCE AG (DE) 2010-02-17 EP disclosed
US-7470793-B2 Thiazol-(bi)cycloalkyl-carboxanilides BAYER CROPSCIENCE AG (DE) 2008-12-30 US disclosed
US-7470793-B2 Thiazol-(bi)cycloalkyl-carboxanilides BAYER CROPSCIENCE AG (DE) 2008-12-30 US disclosed
US-7470793-B2 Thiazol-(bi)cycloalkyl-carboxanilides BAYER CROPSCIENCE AG (DE) 2008-12-30 US disclosed
US-20060155122-A1 Thiazol-(bi)cycloalkyl-carboxanilides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2006-07-13 US disclosed
EP-1558592-A1 THIAZOL-(BI)CYCLOALKYL-CARBOXANILIDES Bayer CropScience Aktiengesellschaft (DE) 2005-08-03 EP disclosed
WO-2004039789-A1 THIAZOL-(BI)CYCLOALKYL-CARBOXANILIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-05-13 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 (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-20060155122-A1 Thiazol-(bi)cycloalkyl-carboxanilides MRPL21, Q6ZSR9, QPCT KMT2A 3021/4885RAB9A 1532/4885MEN1 989/4885

“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.