SCHEMBL2283806

SCHEMBL2283806

CC(=O)N(C(C)=O)c1ccc(-c2ccc(N)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.63
▸ MEN1 O00255 4/20 0.63
▸ KMT2A Q03164 4/20 0.63
▸ POLB P06746 4/20 0.63
▸ TDP1 Q9NUW8 3/20 0.63
▸ ALDH1A1 P00352 3/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ PKM P14618 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TSHR P16473 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.44
▸ HCAR3 P49019 2/20 0.41
▸ GALR3 O60755 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ PGR P06401 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39

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
SCHEMBL737722 0.79 MAPT (1.00) MAPTMEN1KMT2APOLBTDP1
SCHEMBL29409289 0.79 MAPT (1.00) MAPTMEN1KMT2APOLBTDP1
SCHEMBL10936850 0.77 TSHR (0.55) POLBALDH1A1CYP3A4LMNATSHR
Hydrochloric Acid SCHEMBL3973012 0.76 MAPT (0.92) MAPTMEN1KMT2APOLBTDP1
Hydrochloric Acid SCHEMBL3973011 0.76 MAPT (0.92) MAPTMEN1KMT2APOLBTDP1
SCHEMBL8601406 0.74 MAPT (0.88) MAPTMEN1KMT2APOLBTDP1
SCHEMBL5952772 0.73 TDP1 (0.79) MAPTMEN1KMT2APOLBTDP1
SCHEMBL27864753 0.73 TDP1 (0.79) MAPTMEN1KMT2APOLBTDP1
SCHEMBL3178960 0.73 MAPT (0.85) MAPTMEN1KMT2APOLBTDP1
SCHEMBL9649469 0.73 TDP1 (0.85) MAPTMEN1KMT2APOLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5041666-A Acetylating biphenyl, oximating, double Beckmann rearrangement, nitrating, hydrolysis, and reducing HOECHST CELANESE CORPORATION (US) 1991-08-20 — — US claimed
US-7999112-B2 Reusable transition metal complex catalyst useful for the preparation of high pure quality 3,3′-diaminobenzidine and its analogues and a process thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2011-08-16 — — US disclosed
EP-1730102-B1 A NOVEL CATALYTIC PROCESS FOR THE PRODUCTION OF 3,3 , 4,4'-TETRAMINOBIPHENYL COUNCIL SCIENT IND RES (IN) 2010-09-22 — — EP disclosed
US-20090131678-A1 Novel reusable transition metal complex catalyst useful for the preparation of high pure quality 3,3'-diaminobenzidine and its analogues and a process thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2009-05-21 — — US disclosed
EP-1727781-B1 PROCESS FOR THE PREPARATION OF HIGH QUALITY 3,3',4,4'-TETRAMINOBIPHENYL COUNCIL SCIENT IND RES (IN) 2009-05-06 — — EP disclosed
EP-1730102-A1 A NOVEL CATALYTIC PROCESS FOR THE PRODUCTION OF 3,3 , 4,4'-TETRAMINOBIPHENYL Council of Scientific and Industrial Research (IN) 2006-12-13 — — EP disclosed
US-6979749-B2 Catalytic process for the production of 3,3′, 4,4′-tetraminobiphenyl COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-12-27 — — US disclosed
WO-2005092839-A1 A NOVEL CATALYTIC PROCESS FOR THE PRODUCTION OF 3,3', 4,4'-TETRAMINOBIPHENYL COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-10-06 — — WO disclosed
US-20050215823-A1 NOVEL CATALYTIC PROCESS FOR THE PRODUCTION OF 3,3', 4,4'-TETRAMINOBIPHENYL COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-09-29 — — US disclosed
US-5041666-A Acetylating biphenyl, oximating, double Beckmann rearrangement, nitrating, hydrolysis, and reducing HOECHST CELANESE CORPORATION (US) 1991-08-20 — — US disclosed
US-5041666-A Acetylating biphenyl, oximating, double Beckmann rearrangement, nitrating, hydrolysis, and reducing HOECHST CELANESE CORPORATION (US) 1991-08-20 — — US 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-20050215823-A1 NOVEL CATALYTIC PROCESS FOR THE PRODUCTION OF 3,3', 4,4'-TETRAMINOBIPHENYL NNMT, CBR3, POR MAPT 4350/4885MEN1 2108/4885KMT2A 130/4885
US-20090131678-A1 Novel reusable transition metal complex catalyst useful for the preparation of high pure quality 3,3'-diaminobenzidine and its analogues and a process thereof CYBB, DDT, NOX4 MAPT 3729/4885MEN1 2279/4885KMT2A 1061/4885

“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.

Send feedback