SCHEMBL17409863

SCHEMBL17409863

COSc1c(C)ccc(C(=O)Nc2ncnn2C)c1Br

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SORT1 Q99523 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDR P35968 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
SCHEMBL17409864 0.89 GAA (0.34) NPC1RAB9ASMN1; SMN2KMT2AKDR
SCHEMBL17409843 0.87 NPC1 (0.36) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL17413599 0.80 POLB (0.36) RAB9ASMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL17413596 0.78 GAA (0.32) RAB9AKMT2A
SCHEMBL17396461 0.78 KMT2A (0.33) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL17409897 0.77 NPC1 (0.35) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL17413595 0.77 PDK2 (0.31) KMT2A
SCHEMBL19107397 0.76 NPC1 (0.34) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL19107395 0.76 KMT2A (0.39) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL17413600 0.74 GAA (0.32) NPC1RAB9AKMT2A

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 NPC1 4588/4885RAB9A 3263/4885SMN1; SMN2 4601/4885

“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.