SCHEMBL13875652

SCHEMBL13875652

Cc1cc(Br)c(NC(=O)c2cccc(N)c2)c([S+]([O-])C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PTGS1 P23219 4/20 0.45
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
ABCC9 O60706 1/20 0.36
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
KCNJ8 Q15842 1/20 0.36
KCNK3 O14649 2/20 0.36
KCNK9 Q9NPC2 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC3 O15379 1/20 0.36

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
SCHEMBL13875658 0.86 MEN1 (0.41) THRBNPSR1MEN1KMT2AHTT
SCHEMBL4177831 0.85 PTGS1 (0.46) KDM4EALDH1A1PTGS1SMN1; SMN2NPSR1
SCHEMBL13875612 0.81 MAPT (0.37) KDM4EALDH1A1SMN1; SMN2HSD17B10MEN1
SCHEMBL13875597 0.78 KDM4E (0.48) KDM4EALDH1A1PTGS1THRBSMN1; SMN2
SCHEMBL13875659 0.78 BRAF (0.38) KDM4EALDH1A1HSD17B10RAB9ABRAF
SCHEMBL13875600 0.77 KDM4E (0.45) KDM4EALDH1A1PTGS1THRBSMN1; SMN2
SCHEMBL13875599 0.77 KDM4E (0.46) KDM4EALDH1A1PTGS1THRBSMN1; SMN2
SCHEMBL2103789 0.75 PTGS1 (0.46) KDM4EALDH1A1PTGS1SMN1; SMN2NPSR1
SCHEMBL13875662 0.75 KMT2A (0.39) KDM4EALDH1A1NPSR1HSD17B10MEN1
SCHEMBL4180515 0.73 MEN1 (0.38) PTGS1SMN1; SMN2MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099204-A1 Amide derivative, insecticide containing the same and method for application thereof as insecticide MITSUI CHEMICALS, INC. (JP) 2009-04-16 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-20090099204-A1 Amide derivative, insecticide containing the same and method for application thereof as insecticide CYP2E1, GSTA1, CYP2S1 KDM4E 1117/4885ALDH1A1 76/4885PTGS1 1316/4885

“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.