SCHEMBL7079685

SCHEMBL7079685

O=C(c1ccc[nH]1)c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
KMT2A Q03164 3/20 0.56
MAPK1 P28482 2/20 0.55
GAA P10253 1/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MAPT P10636 4/20 0.52
TDP1 Q9NUW8 2/20 0.52
POLB P06746 1/20 0.52
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.46
TP53 P04637 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.45
FLT1 P17948 1/20 0.45
FLT4 P35916 1/20 0.45
KDR P35968 1/20 0.45

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
SCHEMBL5532280 0.89 CYP1A2 (0.62) CYP1A2CYP2D6KMT2AMAPK1GAA
SCHEMBL5510368 0.81 CYP1A2 (0.49) CYP1A2CYP2D6KMT2AGAAHTT
SCHEMBL6314599 0.80 MAPK1 (0.68) CYP1A2CYP2D6KMT2AMAPK1GAA
SCHEMBL9653610 0.79 MAPT (0.56) CYP1A2CYP2D6KMT2AMAPK1GAA
SCHEMBL5537378 0.78 KMT2A (0.56) KMT2AMAPK1GAAHTTNPSR1
SCHEMBL16160857 0.77 MAPT (0.56) CYP1A2CYP2D6KMT2AMAPK1HTT
SCHEMBL6326821 0.77 SRD5A2 (0.56) CYP1A2CYP2D6MAPK1GAAMAPT
SCHEMBL1149258 0.77 MAPK1 (0.72) KMT2AMAPK1GAAHTTNPSR1
SCHEMBL7080355 0.77 MAPT (0.47) CYP1A2CYP2D6KMT2AGAAHTT
SCHEMBL7079332 0.76 FLT3 (0.54) KMT2AMAPK1GAAHTTNPSR1

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-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
CN-1246847-A Nitrogen containing heteroaromatics as factor Xa inhibitors DU PONT MERCK PHARMA (US) 2000-03-08 CN 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 CYP1A2 1086/4885CYP2D6 2283/4885KMT2A 1701/4885

“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.