SCHEMBL4656404

SCHEMBL4656404

CCOC(=O)C(CC)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 7/20 0.47
TDP1 Q9NUW8 3/20 0.47
POLB P06746 2/20 0.47
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 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
SCHEMBL4659390 0.90 POLB (0.49) NPSR1KDM4EMAPTTDP1POLB
SCHEMBL4656847 0.86 ALDH1A1 (0.52) KDM4EMAPTTDP1MAPK1ALDH1A1
SCHEMBL3340975 0.86 NPSR1 (0.52) NPSR1KDM4EMAPTTDP1POLB
SCHEMBL7754064 0.86 NPSR1 (0.49) NPSR1KDM4EMAPTTDP1POLB
SCHEMBL4658268 0.85 LMNA (0.48) NPSR1KDM4EMAPTTDP1POLB
SCHEMBL4657893 0.84 MAPT (0.46) NPSR1KDM4EMAPTTDP1MAPK1
SCHEMBL4657836 0.84 KMT2A (0.49) NPSR1KDM4EMAPTTDP1POLB
SCHEMBL1625289 0.78 MAPT (0.52) NPSR1KDM4EMAPTTDP1POLB
SCHEMBL7762950 0.78 NPSR1 (0.46) NPSR1KDM4EMAPTTDP1POLB
SCHEMBL11038742 0.77 MAPT (0.54) KDM4EMAPTALDH1A1KMT2AMEN1

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 NPSR1 3676/4885KDM4E 1603/4885MAPT 1956/4885

“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.