SCHEMBL1126918

SCHEMBL1126918

Nc1cccc2c([N+](=O)[O-])cccc12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.75
ALDH1A1 P00352 6/20 0.59
CYP3A4 P08684 2/20 0.54
HSD17B10 Q99714 2/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
GAA P10253 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 1/20 0.51
CTSB P07858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PDE7A Q13946 1/20 0.50
POLB P06746 1/20 0.50
NCOA1 Q15788 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
ALOX15 P16050 1/20 0.50
GPR35 Q9HC97 1/20 0.48
NOS1 P29475 1/20 0.44
PNMT P11086 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
SCHEMBL31689391 1.00 TDP1 (0.75) TDP1ALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL31689625 1.00 TDP1 (0.75) TDP1ALDH1A1CYP3A4HSD17B10HPGD
Hydrochloric Acid SCHEMBL4657730 0.98 TDP1 (0.72) TDP1ALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL6815901 0.88 TDP1 (0.61) TDP1ALDH1A1CYP3A4HSD17B10TSHR
SCHEMBL297029 0.88 TDP1 (0.61) TDP1ALDH1A1CYP3A4HSD17B10TSHR
SCHEMBL29475175 0.87 TDP1 (1.00) TDP1ALDH1A1CYP3A4HSD17B10TSHR
SCHEMBL57166 0.87 TDP1 (1.00) TDP1ALDH1A1CYP3A4HSD17B10TSHR
SCHEMBL8017939 0.85 ALDH1A1 (0.79) TDP1ALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL28093598 0.84 TDP1 (0.95) TDP1ALDH1A1CYP3A4HSD17B10TSHR
SCHEMBL2319993 0.83 TDP1 (0.51) TDP1ALDH1A1TSHRGAAMEN1

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 171 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118004997-A Preparation method of pore-diameter-adjustable porous carbon material 东南大学 2024-05-10 CN claimed
US-20170159189-A1 METHOD FOR PRODUCING 1,5-DIAMINONAPHTHALENE AND 1-AMINO-5-NITRONAPHTHALENE BY DIRECT ELECTROCHEMICAL AMINATION OF NON-ACTIVATED OR DEACTIVATED AROMATIC SYSTEMS ON BORON-DOPED DIAMOND ANODES COVESTRO DEUTSCHLAND AG (DE) 2017-06-08 US claimed
EP-3143185-A1 METHOD FOR PRODUCING 1.5-DIAMINONAPHTHALENE AND 1-AMINO-5-NITRONAPHTHALENE BY DIRECT ELECTROCHEMICAL AMINATION OF NON-ACTIVATED OR DEACTIVATED AROMATIC SYSTEMS ON BORON-DOPED DIAMOND ANODES Covestro Deutschland AG (DE) 2017-03-22 EP claimed
CN-106414391-A Method for producing 1.5-diaminonaphthalene and 1-amino-5-nitronaphthalene by direct electrochemical amination of non-activated or deactivated aromatic systems on boron-doped diamond anodes 科思创德国股份有限公司 2017-02-15 CN claimed
WO-2015173221-A1 METHOD FOR PRODUCING 1.5-DIAMINONAPHTHALENE AND 1-AMINO-5-NITRONAPHTHALENE BY DIRECT ELECTROCHEMICAL AMINATION OF NON-ACTIVATED OR DEACTIVATED AROMATIC SYSTEMS ON BORON-DOPED DIAMOND ANODES COVESTRO DEUTSCHLAND AG (DE) 2015-11-19 WO claimed
US-20110319257-A1 HIGH PERFORMANCE, HIGH DURABILITY NON-PRECIOUS METAL FUEL CELL CATALYSTS 3M INNOVATIVE PROPERTIES COMPANY 2011-12-29 US claimed
EP-2135313-B1 HIGH PERFORMANCE, HIGH DURABILITY NON-PRECIOUS METAL FUEL CELL CATALYSTS 3M INNOVATIVE PROPERTIES CO (US) 2011-09-14 EP 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 claimed
EP-2135313-A1 HIGH PERFORMANCE, HIGH DURABILITY NON-PRECIOUS METAL FUEL CELL CATALYSTS 3M Innovative Properties Company (US) 2009-12-23 EP claimed
EP-1295864-B1 PROCESS FOR PREPARATION OF 1,5-DIAMINONAPHTHALENES MITSUI CHEMICALS POLYURETHANES (JP) 2008-12-03 EP 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
US-6235494-B1 USING CHELATE COMPOUND THE SCRIPPS RESEARCH INSTITUTE 2001-05-22 US claimed
US-4598043-A Method for quantitatively assaying blood coagulation factor XII in human plasma PENTAPHARM AG (CH) 1986-07-01 US claimed
EP-0078764-B1 PROCESS FOR THE QUANTITATIVE DETERMINATION OF THE BLOOD CLOTTING FACTOR XII IN HUMAN PLASMA Pentapharm A.G. (CH) 1986-01-02 EP claimed
US-4480030-A BLOOD-COAGULATION FACTOR XA PENTAPHARM A.G. (CH) 1984-10-30 US claimed
US-4440678-A ARGININES PENTAPHARM, A.G. (CH) 1984-04-03 US claimed
EP-0034122-B1 TRIPEPTIDE DERIVATIVES AND THEIR USE IN THE DETERMINATION OF ENZYMES Pentapharm A.G. (CH) 1983-09-21 EP claimed
EP-0078764-A1 Process for the quantitative determination of the blood clotting factor XII in human plasma Pentapharm A.G. (CH) 1983-05-11 EP 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 TDP1 1315/4885ALDH1A1 455/4885CYP3A4 4/4885
US-20170159189-A1 METHOD FOR PRODUCING 1,5-DIAMINONAPHTHALENE AND 1-AMINO-5-NITRONAPHTHALENE BY DIRECT ELECTROCHEMICAL AMINATION OF NON-ACTIVATED OR DEACTIVATED AROMATIC SYSTEMS ON BORON-DOPED DIAMOND ANODES DAO, APEX1, DDAH1 TDP1 216/4885ALDH1A1 430/4885CYP3A4 212/4885

“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.