SCHEMBL6645341

SCHEMBL6645341

O=[N+]([O-])c1ccc(NCCn2cccn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.54
ALDH1A1 P00352 8/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GLA P06280 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PTPRF P10586 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN11 Q06124 1/20 0.42
HPGD P15428 2/20 0.42
ALOX12 P18054 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
MPI P34949 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL6644748 0.82 SMN1; SMN2 (0.52) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4829103 0.78 CYP19A1 (0.57) KMT2APOLB
SCHEMBL6647923 0.78 NLRP3 (0.48) KMT2APOLB
SCHEMBL6647694 0.78 MAPT (0.50) MAPTALDH1A1MEN1KMT2AGLA
SCHEMBL6923840 0.76 MGLL (0.59) MAPTKMT2ASMN1; SMN2RAB9A
SCHEMBL6649165 0.76 LMNA (0.56) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6646143 0.75 LTA4H (0.51) MAPTALDH1A1TDP1KDM4EHTT
SCHEMBL7094207 0.75 CYP19A1 (0.55) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL9003269 0.75 MAPT (0.70) MAPTALDH1A1MEN1KMT2AGLA
SCHEMBL10489391 0.72 MAPT (0.72) MAPTALDH1A1MEN1KMT2AGLA

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-20040133008-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-08 US disclosed
WO-2004039795-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 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-20040133008-A1 Amide compounds APOB, APOL1, LDLR MAPT 4101/4885ALDH1A1 2174/4885MEN1 3820/4885

“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.