SCHEMBL4658074

SCHEMBL4658074

CCC(CC(=O)OC)Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 6/20 0.45
POLB P06746 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAOB P27338 1/20 0.42
PTPN1 P18031 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL4657899 0.88 KMT2A (0.48) MEN1KMT2AALDH1A1POLBCYP2C19
SCHEMBL4657092 0.85 MEN1 (0.52) MEN1KMT2AALDH1A1POLBCYP2C19
SCHEMBL4657688 0.84 POLB (0.49) MEN1KMT2AALDH1A1POLBCYP2C19
SCHEMBL4657155 0.84 MEN1 (0.51) MEN1KMT2AALDH1A1POLBCYP2C19
SCHEMBL4656948 0.83 MEN1 (0.47) MEN1KMT2AALDH1A1POLBCYP2C19
SCHEMBL28543546 0.78 MEN1 (0.54) MEN1KMT2AALDH1A1POLBCYP2C19
SCHEMBL22598384 0.77 MEN1 (0.49) MEN1KMT2AALDH1A1POLBCYP2C19
SCHEMBL29923859 0.77 MEN1 (0.58) MEN1KMT2AALDH1A1POLBCYP2C19
SCHEMBL908565 0.77 MEN1 (0.58) MEN1KMT2AALDH1A1POLBCYP2C19
SCHEMBL6153301 0.76 MAOB (0.48) MEN1KMT2AALDH1A1POLBCYP2C19

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 MEN1 2558/4885KMT2A 3915/4885ALDH1A1 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.