SCHEMBL17413596

SCHEMBL17413596

COSc1c(C=O)ccc(C(=O)Nc2ncnn2C)c1C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL17413651 0.88 GAA (0.31) GAAHTTKMT2ARAB9A
SCHEMBL17409864 0.87 GAA (0.34) GAAHTTKMT2APOLBRAB9A
SCHEMBL17413599 0.85 POLB (0.36) GAAHTTKMT2AALDH1A1POLB
SCHEMBL17410927 0.83 POLB (0.46) GAAHTTKMT2AALDH1A1POLB
SCHEMBL17413595 0.81 PDK2 (0.31) GAAHTTKMT2A
SCHEMBL17413624 0.79 POLB (0.32) GAAHTTKMT2APOLBRAB9A
SCHEMBL17409863 0.78 NPC1 (0.34) KMT2ARAB9A
SCHEMBL17396461 0.76 KMT2A (0.33) GAAHTTKMT2AALDH1A1POLB
SCHEMBL17413648 0.74 NPC1 (0.31) GAAHTTKMT2APOLBRAB9A
SCHEMBL19107395 0.74 KMT2A (0.39) GAAHTTKMT2AALDH1A1POLB

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 4 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
US-20170158629-A1 Herbicidally Active Arylcarboxylic Acid Amides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-06-08 US 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

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-20170158629-A1 Herbicidally Active Arylcarboxylic Acid Amides DDT, AADAC, AOX1 GAA 147/4885HTT 1479/4885KMT2A 592/4885

“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.