SCHEMBL4656908

SCHEMBL4656908

CCC(C(N)=O)c1cc([N+](=O)[O-])ccc1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.42
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
GAA P10253 1/20 0.38
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
PDK1 Q15118 1/20 0.38
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL4658229 0.87 AKR1C3 (0.46) DPP7ALDH1A1HPGDNPSR1MCOLN3
SCHEMBL4658090 0.84 TSHR (0.47) DPP7ALDH1A1KMT2AMAPTPKM
SCHEMBL4658225 0.84 ALDH1A1 (0.43) ALDH1A1KMT2AMAPT
SCHEMBL4657893 0.84 MAPT (0.46) ALDH1A1NPSR1KMT2AMAPTGAA
SCHEMBL4657836 0.83 KMT2A (0.49) ALDH1A1NPSR1KMT2AMAPTGAA
SCHEMBL11526155 0.78 ALDH1A1 (0.51) ALDH1A1HPGDNPSR1MCOLN3KMT2A
SCHEMBL6462715 0.76 TSHR (0.49) ALDH1A1NPSR1KMT2AMAPTGAA
Hydrochloric Acid SCHEMBL1647739 0.75 TSHR (0.47) ALDH1A1NPSR1KMT2AMAPTGAA
SCHEMBL7856282 0.75 KMT2A (0.59) ALDH1A1KMT2AGAATSHRMEN1
SCHEMBL28192073 0.75 KMT2A (0.55) ALDH1A1KMT2AMAPTPKMGAA

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 DPP7 2149/4885ALDH1A1 159/4885HPGD 532/4885

“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.