SCHEMBL6100121

SCHEMBL6100121

O=C(O)C(c1cccc(Cl)c1)[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ACP3 P15309 1/20 0.45
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 1/20 0.42
FBP1 P09467 2/20 0.41
CNR1 P21554 1/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
CACNA2D1 P54289 1/20 0.39
CACNA1B Q00975 1/20 0.39
CACNB1 Q02641 1/20 0.39
CACNA1C Q13936 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
ALOX5 P09917 1/20 0.38
ERCC5 P28715 1/20 0.38

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
SCHEMBL6106703 0.80 ACP3 (0.45) MEN1KMT2AACP3ALDH1A1POLB
SCHEMBL11526451 0.80 HDAC4 (0.46) FBP1CNR1
SCHEMBL74691 0.80 SRC (0.48) ALDH1A1TDP1LMNAMAPK1
SCHEMBL11322474 0.79 CYP2C9 (0.41) MEN1KMT2APOLBFBP1LMNA
SCHEMBL11602886 0.78 SRC (0.46) ALDH1A1TDP1LMNAMAPK1
SCHEMBL11602507 0.78 SRC (0.46) ALDH1A1TDP1LMNAMAPK1
SCHEMBL887039 0.78 SRC (0.46) ALDH1A1TDP1LMNAMAPK1
SCHEMBL5631889 0.78 HSD17B10 (0.43) ALDH1A1LMNA
SCHEMBL27814338 0.78 PTGS1 (0.58) ALDH1A1TDP1LMNAMAPTMAPK1
Hydrochloric Acid SCHEMBL11329800 0.77 CYP2C9 (0.40) MEN1KMT2APOLBFBP1LMNA

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
CN-103105391-A Novel mercapto color developing agent, preparation method and application thereof UNIV CHONGQING MEDICAL 2013-05-15 CN claimed
CN-103105391-A Novel mercapto color developing agent, preparation method and application thereof UNIV CHONGQING MEDICAL 2013-05-15 CN disclosed
US-20060178426-A1 Kappa agonists, especialy for the treatment and/or prophylaxis of irritable bowel syndrome MERCK PATENT GMBH (DE) 2006-08-10 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 (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-20060178426-A1 Kappa agonists, especialy for the treatment and/or prophylaxis of irritable bowel syndrome OPRK1, ADRA2A, OPRD1 MEN1 2340/4885KMT2A 671/4885ACP3 3173/4885

“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.