SCHEMBL1815240

SCHEMBL1815240

Nc1cccc(C(=O)Nc2c(Br)cc(C(c3ccc(Cl)cc3)(n3cc(Cl)cn3)C(F)(F)F)cc2Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
RHOC P08134 1/20 0.36
RHOA P61586 1/20 0.36
BTK Q06187 3/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
KCNE1 P15382 1/20 0.34
KCNQ1 P51787 1/20 0.34
KCNQ5 Q9NR82 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34

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
SCHEMBL13497564 0.88 RHOC (0.35) SMN1; SMN2NPSR1HSD17B10ALDH1A1KDM4E
SCHEMBL1811552 0.86 F2 (0.48) SMN1; SMN2NPSR1ALDH1A1NPC1RAB9A
SCHEMBL2260416 0.82 MEN1 (0.46) SMN1; SMN2ALDH1A1RHOCRHOARAB9A
SCHEMBL3135074 0.76 PTGS1 (0.48) PTGS1SMN1; SMN2NPSR1HSD17B10ALDH1A1
SCHEMBL1819994 0.73 CYP19A1 (0.35) PTGS1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL2259943 0.70 PTGS1 (0.43) PTGS1SMN1; SMN2NPSR1HSD17B10ALDH1A1
SCHEMBL1821058 0.69 PTGS1 (0.43) PTGS1ALDH1A1KDM4EBTKRAB9A
SCHEMBL404470 0.69 PTGS1 (0.51) PTGS1SMN1; SMN2NPSR1HSD17B10ALDH1A1
SCHEMBL16430397 0.68 ALDH1A1 (0.57) PTGS1SMN1; SMN2NPSR1HSD17B10ALDH1A1
SCHEMBL1767262 0.68 PTGS1 (0.53) PTGS1SMN1; SMN2NPSR1HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201603-A1 Novel Acylaminobenzamide Derivatives BAYER CROPSCIENCE AG (DE) 2011-08-18 US disclosed
US-20110201603-A1 Novel Acylaminobenzamide Derivatives BAYER CROPSCIENCE AG (DE) 2011-08-18 US disclosed
EP-2318358-A2 ACYLAMINOBENZAMIDE DERIVATIVES Bayer CropScience AG (DE) 2011-05-11 EP disclosed
WO-2010015355-A2 NOVEL ACYLAMINOBENZAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-02-11 WO disclosed
WO-2010015355-A2 NOVEL ACYLAMINOBENZAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-02-11 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-20110201603-A1 Novel Acylaminobenzamide Derivatives KCNB1, KCNA5, KCNA7 PTGS1 4027/4885SMN1; SMN2 4532/4885NPSR1 984/4885

“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.