SCHEMBL14910293

SCHEMBL14910293

Cc1cc(Br)c(NC(=O)C(F)(F)F)c(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
RAB9A P51151 2/20 0.46
CA2 P00918 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 3/20 0.40
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
MEN1 O00255 2/20 0.37
NPC1 O15118 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL23885529 0.91 HTT (0.47) ALDH1A1RAB9ACA2SMN1; SMN2L3MBTL1
SCHEMBL30254442 0.91 HTT (0.47) ALDH1A1RAB9ACA2SMN1; SMN2L3MBTL1
SCHEMBL30254630 0.90 ALDH1A1 (0.45) ALDH1A1RAB9ACA2SMN1; SMN2KDM4E
SCHEMBL23885437 0.90 ALDH1A1 (0.45) ALDH1A1RAB9ACA2SMN1; SMN2KDM4E
SCHEMBL14909042 0.87 ALDH1A1 (0.43) ALDH1A1RAB9ACA2SMN1; SMN2KDM4E
SCHEMBL30231697 0.82 CYP1A2 (0.47) ALDH1A1RAB9ACA2SMN1; SMN2KDM4E
SCHEMBL26575330 0.81 ALDH1A1 (0.55) ALDH1A1KDM4EL3MBTL1HTTLMNA
SCHEMBL23885497 0.81 ALDH1A1 (0.41) ALDH1A1CA2SMN1; SMN2L3MBTL1HTT
SCHEMBL30254447 0.81 ALDH1A1 (0.41) ALDH1A1CA2SMN1; SMN2L3MBTL1HTT
SCHEMBL23885687 0.80 PTPN5 (0.41) CA2SMN1; SMN2L3MBTL1HTTLMNA

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-2773625-B1 5-PHENYL SUBSTITUTED N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)ARYL CARBOXYLIC ACID AMIDES AND USE OF SAME AS HERBICIDES BAYER IP GMBH (DE) 2016-08-24 EP disclosed
US-9259001-B2 5-phenyl-substituted N-(tetrazol-5-yl) aryl carboxylic acid amides and N-(triazol-5-yl) aryl carboxylic acid amides, and use thereof as herbicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-16 US disclosed
US-20140296069-A1 5-PHENYL-SUBSTITUTED N-(TETRAZOL-5-YL) ARYL CARBOXYLIC ACID AMIDES AND N-(TRIAZOL-5-YL) ARYL CARBOXYLIC ACID AMIDES, AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2014-10-02 US disclosed
EP-2773625-A1 5-PHENYL-SUBSTITUTED N-(TETRAZOL-5-YL) ARYL CARBOXYLIC ACID AMIDES AND N-(TRIAZOL-5-YL) ARYL CARBOXYLIC ACID AMIDES, AND USE THEREOF AS HERBICIDES Bayer Intellectual Property GmbH (DE) 2014-09-10 EP disclosed
WO-2013064457-A1 5-PHENYL-SUBSTITUTED N-(TETRAZOL-5-YL) ARYL CARBOXYLIC ACID AMIDES AND N-(TRIAZOL-5-YL) ARYL CARBOXYLIC ACID AMIDES, AND USE THEREOF AS HERBICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-10 WO disclosed
EP-2589598-A1 5-phenyl substituted N-(Tetrazol-5-yl)- and N-(Triazol-5-yl)aryl carboxylic acid amides and use of same as herbicides Bayer CropScience AG (DE) 2013-05-08 EP 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-20140296069-A1 5-PHENYL-SUBSTITUTED N-(TETRAZOL-5-YL) ARYL CARBOXYLIC ACID AMIDES AND N-(TRIAZOL-5-YL) ARYL CARBOXYLIC ACID AMIDES, AND USE THEREOF AS HERBICIDES AADAC, NAT1, PAOX ALDH1A1 1126/4885RAB9A 2674/4885CA2 410/4885

“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.