SCHEMBL4659336

SCHEMBL4659336

O=C(CCCc1ccccc1[N+](=O)[O-])OC1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
KDM4E B2RXH2 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.46
NAAA Q02083 2/20 0.45
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
ACHE P22303 1/20 0.40
HTT P42858 1/20 0.39
GAA P10253 1/20 0.39
CYP19A1 P11511 1/20 0.39

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
SCHEMBL4094382 0.78 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1KDM4EL3MBTL1
SCHEMBL1351134 0.77 LMNA (0.55) ALDH1A1KMT2AMEN1L3MBTL1NPC1
SCHEMBL5652287 0.77 EPHX2 (0.57) ALDH1A1KMT2AMEN1KDM4ENAAA
SCHEMBL3684586 0.77 EPHX2 (0.57) ALDH1A1KMT2AMEN1KDM4ENAAA
SCHEMBL4657046 0.75 EGFR (0.53) ALDH1A1KMT2AMEN1L3MBTL1NPC1
SCHEMBL4656878 0.75 CYP4F2 (0.59) ALDH1A1KMT2AMEN1KDM4EL3MBTL1
SCHEMBL6424070 0.74 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1KDM4EL3MBTL1
SCHEMBL28762824 0.74 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1L3MBTL1NPC1
SCHEMBL1352270 0.73 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1L3MBTL1NPC1
SCHEMBL4657892 0.73 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1L3MBTL1NPC1

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
EP-1295864-B1 PROCESS FOR PREPARATION OF 1,5-DIAMINONAPHTHALENES MITSUI CHEMICALS POLYURETHANES (JP) 2008-12-03 EP disclosed
US-6737548-B2 REACTING AN ORTHO-ALKYLNITROBENZENE WITH VINYL COMPOUND IN PRESENCE OF A BASE TO PRODUCE AN INTERMEDIATE, CYCLIZING THE INTERMEDIATE TO FORM 5-NITRO-1-TETRALONE COMPOUND, THEN REACTING WITH AMINE TO PRODUCE DIAMINONAPHTHALENE COMPOUNDS MITSUI CHEMICALS, INC. (JP) 2004-05-18 US disclosed
US-20030176722-A1 Process for preparation of 1,5-diaminonaphthalenes MITSUI CHEMICALS POLYURETHANES, INC. (JP) 2003-09-18 US disclosed
EP-1295864-A1 PROCESS FOR PREPARATION OF 1,5-DIAMINONAPHTHALENES Mitsui Chemicals, Inc. (JP) 2003-03-26 EP 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-20030176722-A1 Process for preparation of 1,5-diaminonaphthalenes NOX5, NOX1, DPYD ALDH1A1 159/4885KMT2A 3915/4885MEN1 2558/4885

“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.