SCHEMBL2348307

SCHEMBL2348307

COC(=O)c1c(Cl)ccc(Br)[n+]1[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
NR4A2 P43354 1/20 0.36
TSHR P16473 2/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A3 Q01959 3/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 2/20 0.34
CASP1 P29466 2/20 0.34
CASP7 P55210 2/20 0.34
NOTUM Q6P988 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PKM P14618 1/20 0.34
RCE1 Q9Y256 1/20 0.34
MAPT P10636 2/20 0.33
POLB P06746 2/20 0.33
ABL1 P00519 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL1424184 0.82 ALDH1A1 (0.39) ALDH1A1NR4A2TSHRMEN1KMT2A
SCHEMBL1424319 0.77 TSHR (0.40) ALDH1A1NR4A2TSHRMEN1KMT2A
SCHEMBL1424188 0.76 ALDH1A1 (0.39) ALDH1A1NR4A2TSHRMEN1KMT2A
SCHEMBL1424582 0.73 ALDH1A1 (0.37) ALDH1A1NR4A2TSHRMEN1KMT2A
SCHEMBL10206251 0.72 NOTUM (0.34) NR4A2TSHRMEN1KMT2ASLC6A3
SCHEMBL2342253 0.71 EPAS1 (0.37) ALDH1A1TSHRMEN1KMT2ASLC6A2
SCHEMBL6164994 0.70 ALDH1A1 (0.38) ALDH1A1NR4A2TSHRMEN1KMT2A
SCHEMBL1424455 0.69 MAPT (0.36) ALDH1A1MEN1KMT2ALMNAPKM
SCHEMBL9932205 0.69 VCAM1 (0.41) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL2349201 0.67 NPSR1 (0.47) ALDH1A1KDM4ENOTUMLMNASMN1; SMN2

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-8962529-B2 Substituted picolinic acids, salts and acid derivatives thereof, and use thereof as herbicides BAYER CROPSCIENCE AG (DE) 2015-02-24 US disclosed
US-20120157314-A1 NOVEL SUBSTITUTED PICOLINIC ACIDS, SALTS AND ACID DERIVATIVES THEREOF, AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-06-21 US disclosed
EP-1498413-B1 4-Aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2011-08-31 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-20120157314-A1 NOVEL SUBSTITUTED PICOLINIC ACIDS, SALTS AND ACID DERIVATIVES THEREOF, AND USE THEREOF AS HERBICIDES HPD, ALAD, DDT ALDH1A1 830/4885NR4A2 2119/4885TSHR 953/4885

“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.