SCHEMBL17413600

SCHEMBL17413600

COSc1c(C2OCCO2)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
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL17413649 0.89 NPC1 (0.32) GAAHTTKMT2ANPC1RAB9A
SCHEMBL17413595 0.87 PDK2 (0.31) GAAHTTKMT2A
SCHEMBL17413639 0.85 POLB (0.43) GAAHTTKMT2ANPC1RAB9A
SCHEMBL17409864 0.82 GAA (0.34) GAAHTTKMT2ANPC1RAB9A
SCHEMBL17413599 0.81 POLB (0.36) GAAHTTKMT2ARAB9A
SCHEMBL17413626 0.80 GAA (0.31) GAAHTTKMT2ANPC1RAB9A
SCHEMBL17413596 0.79 GAA (0.32) GAAHTTKMT2ARAB9A
SCHEMBL17413643 0.76 GRM5 (0.32) GAAHTTKMT2ANPC1RAB9A
SCHEMBL17409863 0.74 NPC1 (0.34) KMT2ANPC1RAB9A
SCHEMBL17413594 0.73 POLB (0.45) GAAHTTKMT2ANPC1RAB9A

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
US-9988347-B2 Herbicidally active arylcarboxylic acid amides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-05 US disclosed
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
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.