SCHEMBL4657706

SCHEMBL4657706

O=C(CCCc1ccccc1[N+](=O)[O-])OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
ALDH1A1 P00352 5/20 0.48
TDP1 Q9NUW8 2/20 0.48
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SIGMAR1 Q99720 2/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.46
MITF O75030 1/20 0.46
HTT P42858 1/20 0.46
CCR6 P51684 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GAA P10253 1/20 0.45
MAOB P27338 1/20 0.43

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
SCHEMBL20126457 0.85 ALDH1A1 (0.58) RAB9ANPC1ALDH1A1MAPK1L3MBTL1
SCHEMBL4656878 0.83 CYP4F2 (0.59) RAB9ANPC1ALDH1A1TDP1MAPK1
SCHEMBL9508856 0.83 MAOB (0.50) RAB9ANPC1ALDH1A1TDP1L3MBTL1
SCHEMBL7060051 0.82 ALDH1A1 (0.46) RAB9ANPC1ALDH1A1L3MBTL1SIGMAR1
SCHEMBL4074486 0.81 MAOB (0.46) ALDH1A1TDP1L3MBTL1MAPTKMT2A
SCHEMBL4532746 0.81 MAOB (0.46) ALDH1A1TDP1L3MBTL1MAPTKMT2A
SCHEMBL20598466 0.81 MAOB (0.54) RAB9ANPC1ALDH1A1L3MBTL1MAPT
SCHEMBL4657046 0.81 EGFR (0.53) RAB9ANPC1ALDH1A1TDP1L3MBTL1
SCHEMBL1351134 0.80 LMNA (0.55) RAB9ANPC1ALDH1A1TDP1L3MBTL1
SCHEMBL27269053 0.80 ALDH1A1 (0.51) ALDH1A1TDP1MAPK1L3MBTL1KMT2A

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 RAB9A 4030/4885NPC1 3789/4885ALDH1A1 159/4885

“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.