SCHEMBL6645491

SCHEMBL6645491

O=[N+]([O-])c1ccc(OCCn2cccn2)nc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.43
HSPB1 P04792 2/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GABRA5 P31644 1/20 0.40
MAPT P10636 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
PABPC1 P11940 1/20 0.38
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL6646143 0.83 LTA4H (0.51) MAPTALDH1A1LMNAKDM4E
SCHEMBL17298803 0.82 HSPB1 (0.42) HSPB1MEN1KMT2AGAAL3MBTL1
SCHEMBL6920000 0.79 MGLL (0.41) HSPB1MEN1KMT2AGAAMAPT
SCHEMBL15243969 0.79 MAPT (0.46) IDO1MEN1KMT2AGAAMAPT
SCHEMBL6644748 0.79 SMN1; SMN2 (0.52) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL6919997 0.77 CYP1A2 (0.48) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL6644390 0.77 IDO1 (0.47) IDO1MEN1KMT2AGAAMAPT
SCHEMBL17672793 0.76 HSPB1 (0.51) HSPB1MEN1KMT2AGAAL3MBTL1
SCHEMBL3333575 0.75 MAPT (0.58) HSPB1MEN1KMT2AGAAL3MBTL1
SCHEMBL1641137 0.75 LTA4H (0.61) HSPB1MEN1KMT2AMAPTNPSR1

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 IDO1 699/4885HSPB1 302/4885MEN1 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.