SCHEMBL2212205

SCHEMBL2212205

NC1=CCCc2c1cccc2[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.43
MAPT P10636 4/20 0.42
KMT2A Q03164 3/20 0.42
RECQL P46063 1/20 0.42
MCL1 Q07820 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TDP1 Q9NUW8 5/20 0.41
ALDH1A1 P00352 3/20 0.41
GPR35 Q9HC97 1/20 0.40
PTPRC P08575 1/20 0.40
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL166701 0.75 MAPT (0.56) S100A4MAPTKMT2ARECQLMCL1
SCHEMBL35211484 0.75 MAPT (0.56) S100A4MAPTKMT2ARECQLMCL1
SCHEMBL6753541 0.74 PARP1 (0.46) MAPTKMT2ATDP1ALDH1A1PTPRC
SCHEMBL4573599 0.72 MAPT (0.53) S100A4MAPTKMT2ARECQLMCL1
SCHEMBL768880 0.72 MAPT (0.53) S100A4MAPTKMT2ARECQLMCL1
SCHEMBL8499259 0.72 MAPT (0.66) S100A4MAPTKMT2ARECQLMCL1
SCHEMBL16847064 0.71 MAPT (0.51) S100A4MAPTKMT2ARECQLMCL1
SCHEMBL31456583 0.71 MAPT (0.51) S100A4MAPTKMT2ARECQLMCL1
SCHEMBL7469716 0.70 TDP1 (0.45) S100A4MAPTKMT2ARECQLMCL1
SCHEMBL8519148 0.70 S100A4 (0.55) S100A4MAPTKMT2ARECQLMCL1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1369412-B1 Process for the preparation of 5-nitro-3,4-dihydro-1(2H)-naphthalenone, 1,5-naphthalendiamine and 1,5-naphthalendiisocyanate BAYER MATERIALSCIENCE AG (DE) 2011-07-27 EP claimed
US-6706924-B2 INCLUDES A STEP IN WHICH ORTHO-NITROTOLUENE IS REACTED WITH ONE OR MORE ACRYLIC ACID DERIVATIVES SUCH AS ACRYLONITRILE BAYER AKTIENGESELLSCHAFT (DE) 2004-03-16 US claimed
EP-1369412-A1 Process for the preparation of 5-nitro-3,4-dihydro-1(2H)-naphthalenone, 1,5-naphthalendiamine and 1,5-naphthalendiisocyanate BAYER AG (DE) 2003-12-10 EP claimed
EP-1345888-A1 METHOD FOR THE PRODUCTION OF 1,5-NAPHTHALENEDIAMINE Bayer Aktiengesellschaft (DE) 2003-09-24 EP claimed
US-20020103401-A1 Process for the production of 1,5-naphthalenediamine BAYER AKTIENGESELLSCHAFT (DE) 2002-08-01 US claimed
WO-2002051792-A1 METHOD FOR THE PRODUCTION OF 1,5-NAPHTHALENEDIAMINE BAYER AKTIENGESELLSCHAFT (DE) 2002-07-04 WO claimed
EP-1369412-B1 Process for the preparation of 5-nitro-3,4-dihydro-1(2H)-naphthalenone, 1,5-naphthalendiamine and 1,5-naphthalendiisocyanate BAYER MATERIALSCIENCE AG (DE) 2011-07-27 EP disclosed
US-7202384-B2 Process for producing 5-nitro-3,4-dihydro-1(2H)-naphthalinone, 1,5-naphthalenediamine and 1,5-naphthalene diisocyanate BAYER MATERIALSCIENCE AKTIENGESELLSCHAFT (DE) 2007-04-10 US disclosed
US-7202378-B2 Process for producing 5-nitro-3,4-dihydro-1(H)-naphthalinone, 1,5-naphthalenediamine and 1,5-naphthalene diisocyanate BAYER MATERIALSCIENCE AG (DE) 2007-04-10 US disclosed
US-20060183946-A1 Process for producing 5-nitro-3,4-dihydro-1(H)-naphthalinone, 1,5-naphthalenediamine and 1,5-naphthalene diisocyanate COVESTRO DEUTSCHLAND AG (DE) 2006-08-17 US disclosed
US-20060178526-A1 Process for producing 5-nitro-3,4-dihydro-1(2H)-naphthalinone, 1,5-naphthalenediamine and 1,5-naphthalene diisocyanate COVESTRO DEUTSCHLAND AG (DE) 2006-08-10 US disclosed
US-7057071-B2 Process for producing 5-nitro-3,4-dihydro-1(2H)-naphthalinone, 1-5-naphthalenediamine and 1,5-naphthalene diisocyanate BAYER MATERIALSCIENCE AG (DE) 2006-06-06 US disclosed
US-6706924-B2 INCLUDES A STEP IN WHICH ORTHO-NITROTOLUENE IS REACTED WITH ONE OR MORE ACRYLIC ACID DERIVATIVES SUCH AS ACRYLONITRILE BAYER AKTIENGESELLSCHAFT (DE) 2004-03-16 US disclosed
US-20030229252-A1 Process for producing 5-nitro-3,4-dihydro-1(2H)-naphthalinone, 1-5-naphthalenediamine and 1,5-naphthalene diisocyanate COVESTRO DEUTSCHLAND AG (DE) 2003-12-11 US disclosed
EP-1369412-A1 Process for the preparation of 5-nitro-3,4-dihydro-1(2H)-naphthalenone, 1,5-naphthalendiamine and 1,5-naphthalendiisocyanate BAYER AG (DE) 2003-12-10 EP disclosed
EP-1345888-A1 METHOD FOR THE PRODUCTION OF 1,5-NAPHTHALENEDIAMINE Bayer Aktiengesellschaft (DE) 2003-09-24 EP disclosed
US-20020103401-A1 Process for the production of 1,5-naphthalenediamine BAYER AKTIENGESELLSCHAFT (DE) 2002-08-01 US disclosed
WO-2002051792-A1 METHOD FOR THE PRODUCTION OF 1,5-NAPHTHALENEDIAMINE BAYER AKTIENGESELLSCHAFT (DE) 2002-07-04 WO 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-20020103401-A1 Process for the production of 1,5-naphthalenediamine BBOX1, CYP4B1, NAT1 S100A4 834/4885MAPT 2586/4885KMT2A 2429/4885

“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.