SCHEMBL4657804

SCHEMBL4657804

Cc1c(CCC(C)C(N)=O)cccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.48
CYP2C19 P33261 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
TDP1 Q9NUW8 3/20 0.47
TSHR P16473 2/20 0.46
GLA P06280 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL4656747 0.89 POLB (0.52) POLBCYP2C19ALDH1A1TSHRSMN1; SMN2
SCHEMBL4656841 0.88 POLB (0.52) POLBCYP2C19ALDH1A1CYP1A2CYP3A4
SCHEMBL27663162 0.82 ALDH1A1 (0.45) POLBCYP2C19ALDH1A1CYP1A2CYP3A4
SCHEMBL4657807 0.81 ALDH1A1 (0.47) POLBCYP2C19ALDH1A1CYP1A2CYP3A4
SCHEMBL4657812 0.77 TDP1 (0.49) POLBCYP2C19ALDH1A1CYP1A2CYP3A4
SCHEMBL3842170 0.76 TDP1 (0.60) POLBCYP2C19ALDH1A1CYP1A2CYP3A4
SCHEMBL4658040 0.76 POLB (0.53) POLBCYP2C19ALDH1A1CYP1A2TSHR
SCHEMBL4658235 0.74 EPHX1 (0.52) CYP2C19ALDH1A1TDP1TSHRL3MBTL1
SCHEMBL4656789 0.74 L3MBTL1 (0.51) POLBCYP2C19ALDH1A1CYP1A2CYP3A4
SCHEMBL3849609 0.73 TDP1 (0.60) POLBCYP2C19ALDH1A1CYP1A2CYP3A4

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 POLB 424/4885CYP2C19 647/4885ALDH1A1 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.