SCHEMBL4657623

SCHEMBL4657623

CCCCc1c(C(CC)C(N)=O)cccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 2/20 0.40
CYP1A2 P05177 3/20 0.40
FBP1 P09467 2/20 0.38
TDP1 Q9NUW8 3/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 2/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
GLA P06280 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
PLK1 P53350 1/20 0.36
PLK3 Q9H4B4 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL4659156 0.90 CYP1A2 (0.49) SMN1; SMN2TSHRCYP1A2FBP1TDP1
SCHEMBL4658100 0.88 ALDH1A1 (0.45) SMN1; SMN2TSHRCYP1A2TDP1ALDH1A1
SCHEMBL4659318 0.86 ALDH1A1 (0.50) SMN1; SMN2TSHRCYP1A2ALDH1A1L3MBTL1
SCHEMBL10505139 0.82 CYP1A2 (0.57) SMN1; SMN2TSHRCYP1A2ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL10504826 0.81 CYP1A2 (0.56) SMN1; SMN2TSHRCYP1A2ALDH1A1KMT2A
SCHEMBL4656926 0.79 CYP1A2 (0.42) SMN1; SMN2TSHRCYP1A2FBP1TDP1
SCHEMBL7342960 0.79 TSHR (0.48) SMN1; SMN2TSHRTDP1ALDH1A1L3MBTL1
SCHEMBL4656718 0.77 ALDH1A1 (0.40) SMN1; SMN2TSHRCYP1A2TDP1ALDH1A1
SCHEMBL5213323 0.76 TSHR (0.49) SMN1; SMN2TSHRCYP1A2TDP1ALDH1A1
SCHEMBL4048581 0.75 TDP1 (0.47) SMN1; SMN2TSHRCYP1A2TDP1ALDH1A1

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 SMN1; SMN2 1884/4885TSHR 4208/4885CYP1A2 437/4885

“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.