SCHEMBL12528548

SCHEMBL12528548

Clc1ccccc1-n1ccc(I)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.41
NOTUM Q6P988 1/20 0.40
MGLL Q99685 1/20 0.37
PARP1 P09874 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADRB1 P08588 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
CNR1 P21554 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32

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
SCHEMBL29571748 0.81 BCHE (0.41) BCHENOTUMMGLLPARP1ADORA3
SCHEMBL2359053 0.81 BCHE (0.41) BCHENOTUMMGLLPARP1ADORA3
SCHEMBL12528199 0.77 BCHE (0.41) BCHENOTUMMGLLPARP1ADORA3
SCHEMBL2615993 0.77 MAPT (0.52) BCHENOTUMMGLLPARP1ADORA3
SCHEMBL30264219 0.77 NOTUM (0.44) BCHENOTUMMGLLPARP1ADORA3
SCHEMBL15352787 0.77 NOTUM (0.44) BCHENOTUMMGLLPARP1ADORA3
SCHEMBL12528566 0.74 BCHE (0.58) BCHENOTUMALDH1A1MEN1HTT
SCHEMBL950522 0.73 RPS6KA5 (0.34)
SCHEMBL12528588 0.73 BCHE (0.38) BCHENOTUMMGLLPARP1ADORA3
SCHEMBL12380848 0.73 NPC1 (0.43) BCHENOTUMHTTCNR1KDM4E

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
US-7968573-B2 Hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-28 US disclosed
US-20110071291-A1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME IKEGAMI HIROSHI 2011-03-24 US disclosed
US-7867949-B2 Hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-11 US disclosed
US-20090181956-A1 Hydrazide Compound and Pesticidal Use of the Same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-16 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 (2 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-20110071291-A1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME ACHE, H1-2, H1-0 BCHE 19/4885NOTUM 1504/4885MGLL 2922/4885
US-20090181956-A1 Hydrazide Compound and Pesticidal Use of the Same ACHE, DDT, CAT BCHE 9/4885NOTUM 520/4885MGLL 1951/4885

“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.