SCHEMBL17409864

SCHEMBL17409864

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

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK14 Q16539 7/20 0.32
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDR P35968 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
POLB P06746 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
SCHEMBL17409863 0.89 NPC1 (0.34) KMT2ANPC1RAB9ASMN1; SMN2KDR
SCHEMBL17413599 0.89 POLB (0.36) GAAHTTKMT2ARAB9ASMN1; SMN2
SCHEMBL17396461 0.87 KMT2A (0.33) GAAHTTKMT2ANPC1RAB9A
SCHEMBL17413596 0.87 GAA (0.32) GAAHTTKMT2ARAB9APOLB
SCHEMBL17413595 0.85 PDK2 (0.31) GAAHTTKMT2AJAK1
SCHEMBL19107395 0.82 KMT2A (0.39) GAAHTTKMT2ANPC1RAB9A
SCHEMBL17413600 0.82 GAA (0.32) GAAHTTKMT2ANPC1RAB9A
SCHEMBL17410738 0.81 POLB (0.50) GAAHTTKMT2ANPC1RAB9A
SCHEMBL17413648 0.78 NPC1 (0.31) GAAHTTKMT2ANPC1RAB9A
SCHEMBL17409843 0.78 NPC1 (0.36) KMT2ANPC1RAB9ASMN1; SMN2KDR

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
EP-3160946-B1 HERBICIDAL BENZOIC ACID AMIDES BAYER CROPSCIENCE AG (DE) 2018-06-06 EP disclosed
US-9988359-B2 Herbicidally active benzoic acid amides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-05 US disclosed
US-20170197926-A1 HERBICIDALLY ACTIVE BENXZOIC ACID AMIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-07-13 US disclosed
WO-2016001074-A1 HERBICIDALLY ACTIVE BENZOIC ACID AMIDES BAYER CROPSCIENCE AG (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-20170197926-A1 HERBICIDALLY ACTIVE BENXZOIC ACID AMIDES AOX1, GABRA5, GABRD GAA 192/4885HTT 1030/4885KMT2A 646/4885

“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.