SCHEMBL14910263

SCHEMBL14910263

CSc1cc(C)cc(C(=O)O)c1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.63
▸ CSNK2A1 P68400 1/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ TPMT P51580 1/20 0.39
▸ MCL1 Q07820 3/20 0.38
▸ GABRP O00591 2/20 0.38
▸ GABRD O14764 2/20 0.38
▸ GABRA1 P14867 2/20 0.38
▸ GABRB1 P18505 2/20 0.38
▸ GABRG2 P18507 2/20 0.38
▸ GABRB3 P28472 2/20 0.38
▸ GABRA5 P31644 2/20 0.38
▸ GABRA3 P34903 2/20 0.38
▸ GABRA2 P47869 2/20 0.38
▸ GABRB2 P47870 2/20 0.38
▸ GABRA4 P48169 2/20 0.38
▸ GABRE P78334 2/20 0.38
▸ GABRA6 Q16445 2/20 0.38

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
SCHEMBL11881146 0.83 KDM4E (0.79) KDM4ECSNK2A1KMT2AMEN1TDP1
SCHEMBL29502911 0.78 KDM4E (1.00) KDM4ECSNK2A1KMT2AMEN1TDP1
SCHEMBL108376 0.78 KDM4E (1.00) KDM4ECSNK2A1KMT2AMEN1TDP1
SCHEMBL14909078 0.77 KDM4E (0.44) KDM4ECSNK2A1TPMTMCL1MYC
SCHEMBL10569631 0.76 ALDH1A1 (0.45) KDM4EKMT2AMEN1TDP1MAPT
SCHEMBL10932482 0.76 KDM4E (0.68) KDM4ECSNK2A1KMT2AMEN1TDP1
Formic Acid SCHEMBL28050605 0.76 KDM4E (0.68) KDM4ECSNK2A1KMT2AMEN1TDP1
SCHEMBL17363221 0.76 KDM4E (0.68) KDM4ECSNK2A1KMT2AMEN1TDP1
SCHEMBL6120291 0.76 KDM4E (0.68) KDM4ECSNK2A1KMT2AMEN1TDP1
Bromide SCHEMBL1006115 0.74 KDM4E (0.66) KDM4ECSNK2A1KMT2AMEN1TDP1

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
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
CN-104011031-B N-(tetrazolium-5-base) aryl carboxylic acid amides of 5-phenyl-replacement and N-(triazole-5-base) aryl carboxylic acid amides, and the purposes as herbicide 拜耳知识产权有限责任公司 2016-07-06 — — CN 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 KDM4E 1902/4885CSNK2A1 1727/4885KMT2A 1240/4885

“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.

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