SCHEMBL6487654

SCHEMBL6487654

O=[N+]([O-])c1ccc(NCCc2cscn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.46
ALDH1A1 P00352 8/20 0.44
GLA P06280 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
MAPK1 P28482 2/20 0.42
HTT P42858 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 2/20 0.40

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
SCHEMBL6678960 0.76 MGLL (0.56) MAPTALDH1A1KMT2ARAB9AGAA
SCHEMBL7084355 0.76 MEN1 (0.67) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL4843988 0.76 ALDH1A1 (0.61) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL6498881 0.76 MAPT (0.49) MAPTALDH1A1GLASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL6794141 0.75 ALDH1A1 (0.60) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL7972639 0.75 MAPT (0.48) MAPTALDH1A1GLASMN1; SMN2MEN1
SCHEMBL9003269 0.75 MAPT (0.70) MAPTALDH1A1GLASMN1; SMN2MEN1
SCHEMBL4825951 0.72 LMNA (0.61) MAPTMEN1KMT2AMAPK1RAB9A
SCHEMBL4951837 0.71 ALDH1A1 (0.73) MAPTALDH1A1GLASMN1; SMN2MEN1
SCHEMBL29451510 0.71 MEN1 (0.53) MAPTALDH1A1SMN1; SMN2MEN1KMT2A

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 6 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
US-20040058903-A1 Benzamide compounds as apo b secretion inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-25 US disclosed
EP-1326835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-16 EP disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 WO disclosed
WO-2002028835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-11 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 (2 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-20040058903-A1 Benzamide compounds as apo b secretion inhibitors APOB, APOL1, SCARB1 MAPT 4795/4885ALDH1A1 1427/4885GLA 995/4885
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 MAPT 4202/4885ALDH1A1 1603/4885GLA 890/4885

“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.