SCHEMBL4656399

SCHEMBL4656399

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 5/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 2/20 0.43
MAOB P27338 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
SCHEMBL4656956 0.87 TSHR (0.52) POLBCYP2C19MEN1KMT2AALDH1A1
SCHEMBL4657155 0.83 MEN1 (0.51) POLBCYP2C19MEN1KMT2AALDH1A1
SCHEMBL4657688 0.83 POLB (0.49) POLBCYP2C19MEN1KMT2AALDH1A1
SCHEMBL4656999 0.82 ALDH1A1 (0.50) POLBCYP2C19MEN1KMT2AALDH1A1
SCHEMBL7349383 0.82 ALDH1A1 (0.46) POLBCYP2C19MEN1KMT2AALDH1A1
SCHEMBL1666014 0.81 ALDH1A1 (0.56) POLBCYP2C19MEN1KMT2AALDH1A1
SCHEMBL1665641 0.81 ALDH1A1 (0.56) POLBCYP2C19MEN1KMT2AALDH1A1
SCHEMBL18400720 0.81 ALDH1A1 (0.55) POLBCYP2C19MEN1KMT2AALDH1A1
SCHEMBL4657628 0.81 MAPK1 (0.47) POLBCYP2C19MEN1KMT2AALDH1A1
SCHEMBL3932101 0.79 ALDH1A1 (0.53) POLBCYP2C19MEN1KMT2AALDH1A1

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 647/4885MEN1 2558/4885

“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.