SCHEMBL4923632

SCHEMBL4923632

CCC1COC(=O)N1Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.48
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 4/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
P2RX7 Q99572 1/20 0.40
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
CA2 P00918 1/20 0.40
TSHR P16473 1/20 0.40
GSK3B P49841 2/20 0.39

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
SCHEMBL4923566 0.79 SIRT2 (0.40) SIRT2SIRT1P2RX7
SCHEMBL4919773 0.73 SIRT2 (0.52) ACHECA12CA9SIRT2SIRT1
SCHEMBL2582291 0.73 ACHE (0.62) ACHECA12CA9SIRT2SIRT1
SCHEMBL4232875 0.72 KMT2A (0.58) ACHEALDH1A1KMT2AMCOLN3MEN1
SCHEMBL16421787 0.71 AR (0.45) P2RX7
SCHEMBL4918809 0.71 ACHE (0.49) ACHECA12CA9SIRT2SIRT1
SCHEMBL2783969 0.70 ALDH1A1 (0.53) ACHECA12CA9ALDH1A1KMT2A
SCHEMBL4917369 0.70 ACHE (0.45) ACHECA12CA9SIRT2SIRT1
SCHEMBL4920458 0.70 PTGS1 (0.41) P2RX7POLBCA2
SCHEMBL4920921 0.69 ACHE (0.47) ACHECA12CA9SIRT2SIRT1

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
CN-101111485-B Novel haloalkylsulfonanilide derivatives, herbicides, and methods of use thereof NIHON NOHYAKU CO LTD 2010-10-27 CN disclosed
US-20080274892-A1 Novel Haloalkylsulfonanilide Derivative, Herbicide, and Method of Use Thereof NIHON NOHYAKU CO., LTD. (JP) 2008-11-06 US disclosed
CN-101111485-A Novel haloalkylsulfonanilide derivatives, herbicides, and methods of use thereof NIHON NOHYAKU CO LTD (JP) 2008-01-23 CN disclosed
EP-1852425-A1 NOVEL HALOALKYLSULFONANILIDE DERIVATIVE, HERBICIDE, AND METHOD OF USE THEREOF Nihon Nohyaku Co., Ltd. (JP) 2007-11-07 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-20080274892-A1 Novel Haloalkylsulfonanilide Derivative, Herbicide, and Method of Use Thereof HDHD5, DDT, CBR3 ACHE 357/4885CA12 2818/4885CA9 718/4885

“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.