SCHEMBL4657628

SCHEMBL4657628

CCOC(=O)CC(C)Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 7/20 0.42
MAOB P27338 1/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL4657688 0.86 POLB (0.49) MEN1KMT2APOLBCYP2C19L3MBTL1
SCHEMBL28448773 0.86 MAPK1 (0.46) MAPK1MEN1KMT2APOLBCYP2C19
SCHEMBL4657899 0.86 KMT2A (0.48) MAPK1MEN1KMT2APOLBCYP2C19
SCHEMBL4657923 0.86 MAPK1 (0.46) MAPK1MEN1KMT2APOLBCYP2C19
SCHEMBL4656956 0.82 TSHR (0.52) MEN1KMT2APOLBCYP2C19KDM4E
SCHEMBL12892507 0.82 MEN1 (0.49) MAPK1MEN1KMT2APOLBCYP2C19
SCHEMBL1572954 0.81 L3MBTL1 (0.56) MAPK1MEN1KMT2APOLBCYP2C19
SCHEMBL30619954 0.81 L3MBTL1 (0.56) MAPK1MEN1KMT2APOLBCYP2C19
SCHEMBL4656399 0.81 POLB (0.48) MEN1KMT2APOLBCYP2C19SMN1; SMN2
SCHEMBL3796044 0.80 MAPK1 (0.61) MAPK1MEN1KMT2APOLBCYP2C19

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 MAPK1 108/4885MEN1 2558/4885KMT2A 3915/4885

“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.