SCHEMBL149020

SCHEMBL149020

Cc1c(C(=O)Nc2ncnn2C)cccc1S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.43
PABPC1 P11940 1/20 0.41
EIF4H Q15056 1/20 0.41
P2RX7 Q99572 1/20 0.38
KMT2A Q03164 4/20 0.37
HTT P42858 2/20 0.37
GAA P10253 1/20 0.37
POLB P06746 1/20 0.36
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MYC P01106 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAP3K5 Q99683 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL16840512 0.84 BCAT2 (0.34) BCAT2PABPC1EIF4HP2RX7KMT2A
SCHEMBL17396495 0.81 POLB (0.33) KMT2AHTTGAAPOLBNPC1
SCHEMBL17410737 0.81 POLB (0.58) BCAT2PABPC1EIF4HP2RX7KMT2A
SCHEMBL18944158 0.80 NPC1 (0.36) BCAT2KMT2AHTTGAAPOLB
SCHEMBL17409898 0.79 POLB (0.39) P2RX7KMT2AGAAPOLBNPC1
SCHEMBL17413624 0.78 POLB (0.32) KMT2AHTTGAAPOLBNPC1
SCHEMBL17413625 0.78 KIF18A (0.34) KMT2AHTTGAAPOLB
SCHEMBL19107395 0.77 KMT2A (0.39) KMT2AHTTGAAPOLBNPC1
SCHEMBL17413626 0.75 GAA (0.31) KMT2AHTTGAANPC1RAB9A
SCHEMBL17409897 0.74 NPC1 (0.35) KMT2APOLBNPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988347-B2 Herbicidally active arylcarboxylic acid amides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-05 US disclosed
EP-3160945-B1 HERBICIDAL ARYLCARBOXYLIC ACID AMIDES BAYER CROPSCIENCE AG (DE) 2018-01-31 EP disclosed
US-20170158629-A1 Herbicidally Active Arylcarboxylic Acid Amides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-06-08 US disclosed
WO-2016001073-A1 HERBICIDALLY ACTIVE ARYLCARBOXYLIC ACID AMIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-01-07 WO disclosed
EP-2611785-B1 N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)ARYL CARBOXYLIC ACID AMIDES AND USE OF SAME AS HERBICIDES BAYER IP GMBH (DE) 2014-06-04 EP disclosed
US-8481749-B2 N-(tetrazol-5-yl)- and N-(triazol-5-yl)arylcarboxamides and their use as herbicides BAYER CROPSCIENCE AG (DE) 2013-07-09 US disclosed
US-20120058892-A1 N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)ARYLCARBOXAMIDES AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE AG (US) 2012-03-08 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 (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-20120058892-A1 N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)ARYLCARBOXAMIDES AND THEIR USE AS HERBICIDES ZYX, NAT1, CYCS BCAT2 860/4885PABPC1 4842/4885EIF4H 4153/4885
US-20170158629-A1 Herbicidally Active Arylcarboxylic Acid Amides DDT, AADAC, AOX1 BCAT2 345/4885PABPC1 3756/4885EIF4H 2856/4885

“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.