SCHEMBL1361280

SCHEMBL1361280

Nc1cccc(C(=O)Nc2c(Br)cc(C(F)(C(F)(F)F)C(F)(F)F)c3ncccc23)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ULK1 O75385 1/20 0.41
KCNJ11 Q14654 6/20 0.41
TLR7 Q9NYK1 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ABCC9 O60706 3/20 0.37
ABCC8 Q09428 3/20 0.37
KCNJ8 Q15842 3/20 0.37
KDM4C Q9H3R0 1/20 0.37
BTK Q06187 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL1359640 0.85 RAB9A (0.53) KDM4EALDH1A1KCNJ11CYP1A2CYP3A4
SCHEMBL1359644 0.82 MEN1 (0.47) KDM4EKCNJ11SMN1; SMN2MEN1KMT2A
SCHEMBL28496399 0.75 PTGS1 (0.53) PTGS1KDM4EALDH1A1KCNJ11SMN1; SMN2
SCHEMBL404470 0.73 PTGS1 (0.51) PTGS1KDM4EALDH1A1ULK1KCNJ11
SCHEMBL1360928 0.73 MEN1 (0.43) KDM4EALDH1A1SMN1; SMN2NPSR1MEN1
SCHEMBL1767262 0.70 PTGS1 (0.53) PTGS1KDM4EALDH1A1KCNJ11SMN1; SMN2
SCHEMBL16430397 0.70 ALDH1A1 (0.57) PTGS1KDM4EALDH1A1ULK1SMN1; SMN2
SCHEMBL4181081 0.70 PTGS1 (0.47) PTGS1KDM4EALDH1A1ULK1KCNJ11
SCHEMBL4191848 0.69 PTGS1 (0.46) PTGS1KDM4EALDH1A1ULK1KCNJ11
SCHEMBL1843940 0.69 PTGS1 (0.56) PTGS1KDM4EALDH1A1ULK1KCNJ11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067638-B2 Amide derivative and insecticide containing the same MITSUI CHEMICALS, INC. (JP) 2011-11-29 US disclosed
US-20090233962-A1 Amide derivative and insecticide containing the same MITSUI CHEMICALS, INC. (JP) 2009-09-17 US disclosed
EP-1911751-A1 AMIDE DERIVATIVE AND PESTICIDE CONTAINING SUCH COMPOUND Mitsui Chemicals, Inc. (JP) 2008-04-16 EP 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-20090233962-A1 Amide derivative and insecticide containing the same CYP1A1, CYP4B1, CYP2E1 PTGS1 1450/4885KDM4E 496/4885ALDH1A1 427/4885

“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.