SCHEMBL6501250

SCHEMBL6501250

O=C(NC1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
HTT P42858 2/20 0.53
ALDH1A1 P00352 4/20 0.51
MAPT P10636 4/20 0.51
KMT2A Q03164 3/20 0.51
POLB P06746 4/20 0.50
GRM5 P41594 4/20 0.50
KDR P35968 2/20 0.50
GAA P10253 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SNCA P37840 2/20 0.46
TP53 P04637 1/20 0.46
SMYD3 Q9H7B4 1/20 0.46
MEN1 O00255 1/20 0.45
AGTR1 P30556 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL6499068 0.82 GRM5 (0.66) KDM4EALDH1A1MAPTKMT2AGRM5
SCHEMBL6499176 0.82 KMT2A (0.50) ALDH1A1KMT2AMEN1NPC1PKM
SCHEMBL6490792 0.81 GRM5 (0.54) KDM4EKMT2AGRM5KDRGAA
SCHEMBL8370641 0.77 PNMT (0.49)
SCHEMBL8007118 0.77 L3MBTL1 (0.54) HTTKMT2AGRM5GAAMEN1
SCHEMBL3803914 0.76 CA1 (0.59)
SCHEMBL8008337 0.76 CA1 (0.59)
SCHEMBL2076586 0.75 WDR5 (0.51) HTTALDH1A1MAPTKMT2APOLB
SCHEMBL8177053 0.73 GRIN2B (0.57) ALDH1A1MAPTKMT2APOLBGAA
SCHEMBL3441770 0.73 PNMT (0.50)

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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 2005-02-17 US disclosed
EP-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 KDM4E 2286/4885HTT 2574/4885ALDH1A1 1603/4885

“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.