SCHEMBL6647694

SCHEMBL6647694

O=[N+]([O-])c1ccc(NCCn2cncn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
ALDH1A1 P00352 4/20 0.44
GLA P06280 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
PKM P14618 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
MPI P34949 1/20 0.42
KDM4E B2RXH2 2/20 0.42
RAB9A P51151 1/20 0.41
CYP19A1 P11511 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
SCHEMBL28852568 0.80 POLB (0.53) MAPTALDH1A1SMN1; SMN2KMT2ATDP1
SCHEMBL6034201 0.78 CYP19A1 (0.57) KMT2APKMPOLBCYP19A1
SCHEMBL6647469 0.78 CYP19A1 (0.43) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL6645341 0.78 MAPT (0.54) MAPTALDH1A1GLASMN1; SMN2KMT2A
SCHEMBL23875581 0.77 CYP19A1 (0.51) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL5655760 0.76 KCNJ1 (0.54) ALDH1A1KMT2APKMPOLBCYP19A1
SCHEMBL28852534 0.75 PKM (0.39) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL23579167 0.75 POLB (0.44) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL5655128 0.75 POLB (0.63) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL5656114 0.75 SMN1; SMN2 (0.63) MAPTALDH1A1SMN1; SMN2KMT2AMEN1

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 2174/4885GLA 1066/4885

“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.