SCHEMBL2581202

SCHEMBL2581202

O=[N+]([O-])c1ccccc1CNCCC(O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 2/20 0.53
CYP2C19 P33261 2/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 2/20 0.44
NPC1 O15118 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA12 O43570 1/20 0.43
KDM1A O60341 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.41

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
SCHEMBL2580906 0.78 CYP2C19 (0.54) ALDH1A1KMT2AKDM4ECYP2C19POLB
SCHEMBL514501 0.78 ALDH1A1 (0.58) ALDH1A1KMT2AKDM4ECYP2C19POLB
SCHEMBL2582014 0.77 NPC1 (0.55) ALDH1A1KMT2ACYP2C19POLBMEN1
SCHEMBL10846878 0.76 MAPK1 (0.53) KMT2AKDM4ECYP2C19MEN1CYP3A4
SCHEMBL4916965 0.76 POLB (0.53) ALDH1A1KMT2AKDM4ECYP2C19POLB
SCHEMBL2578117 0.76 ALDH1A1 (0.55) ALDH1A1KMT2AKDM4ECYP2C19POLB
SCHEMBL6953167 0.75 ALDH1A1 (0.54) ALDH1A1KMT2AKDM4ECYP2C19POLB
SCHEMBL27778443 0.75 ALDH1A1 (0.54) ALDH1A1KMT2AKDM4ECYP2C19POLB
SCHEMBL10052620 0.75 ALDH1A1 (0.61) ALDH1A1KMT2AKDM4ECYP2C19POLB
SCHEMBL20024573 0.75 ALDH1A1 (0.54) ALDH1A1KMT2AKDM4ECYP2C19POLB

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-8048825-B2 Haloalkylsulfonanilide derivatives or salt thereof, herbicide comprising the derivatives as active ingredient, and use of the herbicide NIHON NOHYAKU CO., LTD. (JP) 2011-11-01 US disclosed
CN-101535283-B Haloalkylsulfonanilide derivative or salt thereof, herbicide containing the derivative as active ingredient, and use of the herbicide NIHON NOHYAKU CO LTD 2011-08-17 CN disclosed
US-20100016164-A1 HALOALKYLSULFONANILIDE DERIVATIVES OR SALT THEREOF, HERBICIDE COMPRISING THE DERIVATIVES AS ACTIVE INGREDIENT, AND USE OF THE HERBICIDE NIHON NOHYAKU CO., LTD. (JP) 2010-01-21 US disclosed
CN-101535283-A Haloalkylsulfonanilide derivative or salt thereof, herbicide containing the derivative as active ingredient, and use of the herbicide NIHON NOHYAKU CO LTD (JP) 2009-09-16 CN disclosed
EP-2085392-A1 HALOALKYLSULFONANILIDE DERIVATIVE OR SALT THEREOF, HERBICIDE COMPRISING THE DERIVATIVE AS ACTIVE INGREDIENT, AND USE OF THE HERBICIDE Nihon Nohyaku CO., LTD. (JP) 2009-08-05 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-20100016164-A1 HALOALKYLSULFONANILIDE DERIVATIVES OR SALT THEREOF, HERBICIDE COMPRISING THE DERIVATIVES AS ACTIVE INGREDIENT, AND USE OF THE HERBICIDE HDHD5, CBR3, DHRS9 ALDH1A1 835/4885KMT2A 1957/4885KDM4E 2087/4885

“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.