SCHEMBL17409897

SCHEMBL17409897

Cc1ccc(C(=O)Nc2ncnn2C)c(Br)c1S(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SORT1 Q99523 3/20 0.32
POLB P06746 2/20 0.32
KDR P35968 1/20 0.31
TP53 P04637 1/20 0.30
MAPK1 P28482 1/20 0.30
ALPL P05186 1/20 0.30
NR4A1 P22736 1/20 0.30
ESR2 Q92731 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MAPK14 Q16539 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
SCHEMBL17396495 0.88 POLB (0.33) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL17409843 0.80 NPC1 (0.36) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL16840512 0.80 BCAT2 (0.34) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL18944158 0.80 NPC1 (0.36) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL17409898 0.79 POLB (0.39) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL17413624 0.78 POLB (0.32) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL19107397 0.78 NPC1 (0.34) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL19107395 0.77 KMT2A (0.39) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL17409863 0.77 NPC1 (0.34) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL17413625 0.76 KIF18A (0.34) KMT2APOLB

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.