SCHEMBL7613604

SCHEMBL7613604

[CH2]CCC[CH]C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.61
MEN1 O00255 8/20 0.53
KMT2A Q03164 8/20 0.53
LMNA P02545 3/20 0.47
HTT P42858 1/20 0.47
POLB P06746 3/20 0.47
RAB9A P51151 4/20 0.46
MAPT P10636 4/20 0.46
MAPK1 P28482 3/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 3/20 0.46
NAMPT P43490 1/20 0.46
MITF O75030 1/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MYOC Q99972 1/20 0.46
ALOX12 P18054 1/20 0.45

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
SCHEMBL7608706 0.79 MAPT (0.54) MEN1KMT2ALMNAHTTRAB9A
SCHEMBL3919472 0.77 TGM2 (1.00) TGM2MEN1KMT2ALMNAPOLB
SCHEMBL30448387 0.75 TGM2 (0.72) TGM2MEN1KMT2ALMNAHTT
SCHEMBL9043960 0.74 CES1 (0.47) LMNAHTTRAB9AMAPTMAPK1
SCHEMBL7615520 0.71 MEN1 (0.51) MEN1KMT2ALMNAPOLBRAB9A
SCHEMBL9018657 0.71 MEN1 (0.71) TGM2MEN1KMT2ALMNAHTT
SCHEMBL6631700 0.71 KMT2A (0.71) TGM2MEN1KMT2ALMNAPOLB
SCHEMBL31596017 0.71 TGM2 (0.66) TGM2MEN1KMT2ALMNAPOLB
SCHEMBL9351738 0.71 ALDH1A1 (0.72) TGM2MEN1KMT2ALMNAPOLB
SCHEMBL9351751 0.71 ALDH1A1 (0.72) TGM2MEN1KMT2ALMNAPOLB

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-20020198254-A1 Polyamide analogs GENELABS TECHNOLOGIES, INC. 2002-12-26 US claimed
US-20020198254-A1 Polyamide analogs GENELABS TECHNOLOGIES, INC. 2002-12-26 US 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-20020198254-A1 Polyamide analogs CYP51A1, HDAC6, ERG28 TGM2 2398/4885MEN1 2087/4885KMT2A 2871/4885

“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.