SCHEMBL7080468

SCHEMBL7080468

Cn1ccnc1C(=O)c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
MAPK1 P28482 3/20 0.51
HTT P42858 3/20 0.51
GAA P10253 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAPT P10636 6/20 0.51
POLB P06746 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.48
TP53 P04637 1/20 0.48
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
MEN1 O00255 2/20 0.46
NR1I2 O75469 1/20 0.46
OPRK1 P41145 1/20 0.46
CHRNA4 P43681 1/20 0.46
KCNH2 Q12809 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL7076703 0.79 HTT (0.45) KMT2AHTTGAANPSR1MAPT
SCHEMBL7076539 0.78 MAPK13 (0.64) KMT2AMAPK1HTTGAAMAPT
SCHEMBL7081998 0.77 SMN1; SMN2 (0.67) KMT2AMAPK1HTTGAANPSR1
SCHEMBL7812770 0.75 LMNA (0.51) KMT2AHTTGAAMAPTALDH1A1
SCHEMBL8307409 0.73 NPC1 (0.66) KMT2AMAPK1HTTGAANPSR1
SCHEMBL8306657 0.72 KMT2A (0.58) KMT2AMAPK1HTTGAANPSR1
SCHEMBL8305642 0.72 KMT2A (0.54) KMT2AMAPK1HTTGAANPSR1
SCHEMBL480106 0.72 KMT2A (0.70) KMT2AMAPK1HTTGAANPSR1
SCHEMBL342698 0.71 CCR9 (0.53) KMT2AHTTGAAMAPTALDH1A1
SCHEMBL30215954 0.71 KMT2A (0.64) KMT2AMAPK1HTTGAANPSR1

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 1701/4885MAPK1 13/4885HTT 3720/4885

“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.