SCHEMBL4659331

SCHEMBL4659331

NC(=O)CCCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
TSHR P16473 1/20 0.53
HPGD P15428 1/20 0.49
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CTSD P07339 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 1/20 0.45
PLAU P00749 1/20 0.45
GAA P10253 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
MAOB P27338 1/20 0.44

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
SCHEMBL29383344 0.91 ALDH1A1 (0.55) ALDH1A1TSHRHPGDRAB9ANPC1
SCHEMBL151684 0.91 ALDH1A1 (0.55) ALDH1A1TSHRHPGDRAB9ANPC1
SCHEMBL4657892 0.86 ALDH1A1 (0.53) ALDH1A1TSHRHPGDRAB9ANPC1
SCHEMBL1352270 0.86 ALDH1A1 (0.53) ALDH1A1TSHRHPGDRAB9ANPC1
SCHEMBL7732980 0.85 ALDH1A1 (0.51) ALDH1A1TSHRHPGDRAB9ANPC1
SCHEMBL27930026 0.85 ALDH1A1 (0.51) ALDH1A1TSHRHPGDRAB9ANPC1
SCHEMBL2215516 0.85 ALDH1A1 (0.56) ALDH1A1TSHRHPGDRAB9ANPC1
SCHEMBL11197670 0.82 ALDH1A1 (0.58) ALDH1A1TSHRHPGDRAB9ANPC1
SCHEMBL159214 0.82 ALDH1A1 (0.58) ALDH1A1TSHRHPGDRAB9ANPC1
SCHEMBL28766884 0.82 ALDH1A1 (0.53) ALDH1A1TSHRHPGDRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1275934-C Process for the production of 1, 5-naphthalenediamine BAYER AG (DE) 2006-09-20 CN claimed
CN-1483017-A Process for the production of 1, 5-naphthalenediamine 拜尔公司 2004-03-17 CN 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
US-20020103401-A1 Process for the production of 1,5-naphthalenediamine BAYER AKTIENGESELLSCHAFT (DE) 2002-08-01 US claimed
EP-1622567-B1 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK SHARP & DOHME (US) 2013-07-24 EP disclosed
EP-1295864-B1 PROCESS FOR PREPARATION OF 1,5-DIAMINONAPHTHALENES MITSUI CHEMICALS POLYURETHANES (JP) 2008-12-03 EP disclosed
CN-1275934-C Process for the production of 1, 5-naphthalenediamine BAYER AG (DE) 2006-09-20 CN disclosed
CN-1275934-C Process for the production of 1, 5-naphthalenediamine BAYER AG (DE) 2006-09-20 CN 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
CN-1483017-A Process for the production of 1, 5-naphthalenediamine 拜尔公司 2004-03-17 CN disclosed
CN-1483017-A Process for the production of 1, 5-naphthalenediamine 拜尔公司 2004-03-17 CN 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-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
CN-1464874-A Process for preparation of 1,5-diaminonaphthalenes MITSUI CHEMICALS INC (JP) 2003-12-31 CN disclosed
EP-1345888-A1 METHOD FOR THE PRODUCTION OF 1,5-NAPHTHALENEDIAMINE Bayer Aktiengesellschaft (DE) 2003-09-24 EP 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
US-20020103401-A1 Process for the production of 1,5-naphthalenediamine BAYER AKTIENGESELLSCHAFT (DE) 2002-08-01 US 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 (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 ALDH1A1 455/4885TSHR 3810/4885HPGD 119/4885
US-20030176722-A1 Process for preparation of 1,5-diaminonaphthalenes NOX5, NOX1, DPYD ALDH1A1 159/4885TSHR 4208/4885HPGD 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.