SCHEMBL768880

SCHEMBL768880

O=C1CCCc2c1cccc2[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
RECQL P46063 1/20 0.53
KMT2A Q03164 1/20 0.53
MCL1 Q07820 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
S100A4 P26447 2/20 0.50
PTPRC P08575 1/20 0.46
CYP2A6 P11509 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
TDP1 Q9NUW8 3/20 0.44
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
GPR35 Q9HC97 1/20 0.42

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
SCHEMBL4573599 0.96 MAPT (0.53) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL18329006 0.90 MAPT (0.47) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL35211484 0.89 MAPT (0.56) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL166701 0.89 MAPT (0.56) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL4466334 0.83 MAPT (0.43) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL2214434 0.83 MAPT (0.43) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL8499259 0.81 MAPT (0.66) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL2335721 0.80 ALDH1A1 (0.49) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL2333693 0.79 MAPT (0.50) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL7248426 0.79 MAPT (0.50) MAPTRECQLKMT2AMCL1RXFP1

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 138 patents — showing the first 20. 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
EP-1568681-B1 PROCESS FOR PRODUCING 1,5-DIAMINONAPHTHALENE MITSUI CHEMICALS INC (JP) 2010-04-28 EP claimed
EP-1295864-B1 PROCESS FOR PREPARATION OF 1,5-DIAMINONAPHTHALENES MITSUI CHEMICALS POLYURETHANES (JP) 2008-12-03 EP claimed
CN-100343225-C Process for producing 5-nitro-3,4-dihydro-1(2h)-naphthalinone, 1-5-naphthalenediamine and 1,5-naphthalene diisocyanate BAYER AG (DE) 2007-10-17 CN claimed
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 claimed
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 claimed
CN-1301245-C Method for producing 1, 5-diaminonaphthalene MITSUI CHEMICALS INC (JP) 2007-02-21 CN claimed
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 claimed
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 claimed
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 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
CN-1467195-A Process for producing 5-nitro-3,4-dihydro-1(2h)-naphthalinone, 1-5-naphthalenediamine and 1,5-naphthalene diisocyanate 2004-01-14 CN claimed
CN-1464874-A Process for preparation of 1,5-diaminonaphthalenes MITSUI CHEMICALS INC (JP) 2003-12-31 CN claimed
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 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-20030176722-A1 Process for preparation of 1,5-diaminonaphthalenes MITSUI CHEMICALS POLYURETHANES, INC. (JP) 2003-09-18 US claimed
EP-1295864-A1 PROCESS FOR PREPARATION OF 1,5-DIAMINONAPHTHALENES Mitsui Chemicals, Inc. (JP) 2003-03-26 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 MAPT 2586/4885RECQL 4427/4885KMT2A 2429/4885
US-20030176722-A1 Process for preparation of 1,5-diaminonaphthalenes NOX5, NOX1, DPYD MAPT 1956/4885RECQL 3856/4885KMT2A 3915/4885

“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.