SCHEMBL19107397

SCHEMBL19107397

Cc1ccc(C(=O)Nc2ncnn2C)c(Br)c1[S+](C)[O-]

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SORT1 Q99523 3/20 0.32
KDR P35968 1/20 0.31
TP53 P04637 1/20 0.30
MAPK1 P28482 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
SCHEMBL19107396 0.88 GAA (0.32) NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL17409843 0.79 NPC1 (0.36) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL17409897 0.78 NPC1 (0.35) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL19107395 0.76 KMT2A (0.39) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL17409863 0.76 NPC1 (0.34) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL17409840 0.73 KMT2A (0.48) NPC1RAB9ASMN1; SMN2KMT2AKDR
SCHEMBL17396461 0.71 KMT2A (0.33) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL17396495 0.71 POLB (0.33) NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL17397859 0.70 POLB (0.51) NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL16840512 0.68 BCAT2 (0.34) NPC1RAB9ASMN1; SMN2KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.