SCHEMBL7079327

SCHEMBL7079327

O=C(c1ccc([N+](=O)[O-])cc1Cl)n1ccc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
RAB9A P51151 4/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 2/20 0.46
MAPK1 P28482 2/20 0.46
TP53 P04637 1/20 0.46
LMNA P02545 1/20 0.46
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
NPC1 O15118 2/20 0.44
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.42
NOTUM Q6P988 1/20 0.42

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
SCHEMBL7076294 0.79 TSHR (0.51) KMT2ARAB9ATSHRL3MBTL1GAA
SCHEMBL8447109 0.78 RAB9A (0.60) KMT2AALDH1A1RAB9ATSHRL3MBTL1
SCHEMBL29494636 0.78 RAB9A (0.60) KMT2AALDH1A1RAB9ATSHRL3MBTL1
SCHEMBL18983686 0.77 KMT2A (0.42) KMT2AALDH1A1MEN1RAB9AMAPT
SCHEMBL7079684 0.77 KMT2A (0.60) KMT2AALDH1A1MEN1RAB9AMAPT
SCHEMBL2769896 0.74 TSHR (0.59) KMT2AALDH1A1MEN1RAB9ATSHR
SCHEMBL7081253 0.71 MAPK14 (0.59) RAB9ATSHRL3MBTL1GAANOTUM
SCHEMBL13265982 0.71 TSHR (0.51) KMT2AALDH1A1MEN1RAB9ATSHR
SCHEMBL3427781 0.70 MAPT (0.72) KMT2AALDH1A1MEN1RAB9AMAPT
SCHEMBL28299076 0.70 MGLL (0.49) ALDH1A1RAB9ATSHRL3MBTL1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030073832-A1 Novel aminophenyl ketone derivatives LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2003-04-17 US disclosed
WO-2002083622-A2 NOVEL AMINOPHENYL KETONE DERIVATIVES LEO PHARMA A/S (DK) 2002-10-24 WO 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-20030073832-A1 Novel aminophenyl ketone derivatives MAPKAPK2, MAP3K2, MAP3K1 KMT2A 1701/4885ALDH1A1 1960/4885MEN1 4824/4885

“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.