SCHEMBL4920264

SCHEMBL4920264

CC(C)(CO)NCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
ALDH1A1 P00352 7/20 0.51
TSHR P16473 1/20 0.51
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
CYP2C19 P33261 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 2/20 0.45
ALOX15 P16050 1/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPK1 P28482 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
ALDH3A1 P30838 1/20 0.45
THRB P10828 1/20 0.44

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
SCHEMBL13958892 0.84 ALDH1A1 (0.53) CA12ALDH1A1TSHRMEN1KMT2A
SCHEMBL2581176 0.81 CA12 (0.52) CA12ALDH1A1TSHRMEN1KMT2A
SCHEMBL1667912 0.76 ALDH1A1 (0.56) CA12ALDH1A1TSHRMEN1KMT2A
SCHEMBL2060922 0.75 ALDH1A1 (0.58) CA12ALDH1A1TSHRMEN1KMT2A
SCHEMBL3419481 0.75 ALDH1A1 (0.58) CA12ALDH1A1TSHRMEN1KMT2A
SCHEMBL9806386 0.75 PDK1 (0.54) ALDH1A1MEN1KMT2ARAB9AL3MBTL1
Hydrochloric Acid SCHEMBL21219505 0.74 ALDH1A1 (0.56) CA12ALDH1A1TSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL27326903 0.74 ALDH1A1 (0.56) CA12ALDH1A1TSHRMEN1KMT2A
SCHEMBL27778438 0.74 ALDH1A1 (0.52) CA12ALDH1A1TSHRMEN1KMT2A
Methyl Alcohol SCHEMBL7290159 0.73 ALDH1A1 (0.66) CA12ALDH1A1TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080274892-A1 Novel Haloalkylsulfonanilide Derivative, Herbicide, and Method of Use Thereof NIHON NOHYAKU CO., LTD. (JP) 2008-11-06 US 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 CA12 2818/4885ALDH1A1 704/4885TSHR 455/4885

“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.