SCHEMBL7608706

SCHEMBL7608706

[CH2]CCC[CH]C(=O)NCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.54
LMNA P02545 3/20 0.54
HTT P42858 3/20 0.54
PKM P14618 1/20 0.54
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
CACNA1B Q00975 1/20 0.51
APBA1 Q02410 1/20 0.51
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
TAAR1 Q96RJ0 1/20 0.49
CNR1 P21554 1/20 0.48
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
HSP90AA1 P07900 1/20 0.44

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
SCHEMBL16594665 0.81 MAPT (0.61) MAPTLMNAHTTPKMKMT2A
SCHEMBL7613604 0.79 TGM2 (0.61) MAPTLMNAHTTKMT2AMEN1
SCHEMBL1695076 0.74 SMN1; SMN2 (0.66) MAPTLMNAHTTPKMKMT2A
SCHEMBL1119530 0.74 TSHR (0.60) ALDH1A1TSHR
SCHEMBL6959797 0.73 KDM4E (0.62) MAPTLMNAHTTPKMKMT2A
SCHEMBL15359162 0.72 MAPT (0.59) MAPTLMNAHTTPKMKMT2A
SCHEMBL1119477 0.72 TSHR (0.58) ALDH1A1TSHR
SCHEMBL1395699 0.72 CNR1 (0.60) MAPTLMNAHTTPKMKMT2A
SCHEMBL20718868 0.72 ALDH1A1 (0.60) MAPTLMNAHTTPKMKMT2A
SCHEMBL3028162 0.71 TSHR (0.56) ALDH1A1TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020198254-A1 Polyamide analogs GENELABS TECHNOLOGIES, INC. 2002-12-26 US claimed
WO-2002062755-A2 POLYAMIDE ANALOGS AS DNA MINOR GROOVE BINDERS GENELABS TECHNOLOGIES, INC. (US) 2002-08-15 WO claimed
US-20020198254-A1 Polyamide analogs GENELABS TECHNOLOGIES, INC. 2002-12-26 US disclosed
WO-2002062755-A2 POLYAMIDE ANALOGS AS DNA MINOR GROOVE BINDERS GENELABS TECHNOLOGIES, INC. (US) 2002-08-15 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-20020198254-A1 Polyamide analogs CYP51A1, HDAC6, ERG28 MAPT 2074/4885LMNA 1778/4885HTT 2541/4885

“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.