SCHEMBL7081998

SCHEMBL7081998

Cn1cccc1C(=O)c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.67
HSD17B10 Q99714 1/20 0.67
KMT2A Q03164 4/20 0.54
ALDH1A1 P00352 3/20 0.53
MAPK1 P28482 2/20 0.53
GAA P10253 2/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MAPT P10636 7/20 0.50
POLB P06746 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 2/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MCL1 Q07820 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
SCHEMBL6771037 0.90 ALDH1A1 (0.62) SMN1; SMN2HSD17B10KMT2AALDH1A1MAPK1
SCHEMBL11728744 0.80 SMN1; SMN2 (1.00) SMN1; SMN2HSD17B10KMT2AALDH1A1MAPK1
SCHEMBL7082056 0.78 SMN1; SMN2 (0.74) SMN1; SMN2HSD17B10KMT2AALDH1A1MAPT
SCHEMBL6324751 0.77 SRD5A2 (0.51) ALDH1A1MAPK1GAAMAPTPOLB
SCHEMBL7079376 0.77 MAPK13 (0.67) SMN1; SMN2HSD17B10KMT2AALDH1A1MAPK1
SCHEMBL7080468 0.77 KMT2A (0.51) SMN1; SMN2KMT2AALDH1A1MAPK1GAA
SCHEMBL7466939 0.77 ALDH1A1 (0.56) KMT2AALDH1A1HTTMAPTMEN1
SCHEMBL6951515 0.75 SMN1; SMN2 (0.69) SMN1; SMN2HSD17B10KMT2AALDH1A1MAPT
SCHEMBL6314599 0.75 MAPK1 (0.68) SMN1; SMN2HSD17B10KMT2AALDH1A1MAPK1
SCHEMBL5173228 0.74 MAPK13 (0.61) SMN1; SMN2KMT2AALDH1A1MAPK1GAA

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 SMN1; SMN2 4425/4885HSD17B10 648/4885KMT2A 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.