SCHEMBL6921930

SCHEMBL6921930

Nc1ccc(N)c(-c2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
TDP1 Q9NUW8 5/20 0.53
CYP3A4 P08684 4/20 0.53
ALOX15 P16050 1/20 0.53
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
MAPT P10636 4/20 0.51
LMNA P02545 2/20 0.51
RAB9A P51151 1/20 0.51
TLR9 Q9NR96 1/20 0.51
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
TSHR P16473 2/20 0.48
POLB P06746 1/20 0.48
GAA P10253 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46

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
Hydrochloric Acid SCHEMBL6573069 0.98 ALDH1A1 (0.59) ALDH1A1TDP1CYP3A4ALOX15KMT2A
SCHEMBL28853951 0.87 ALDH1A1 (0.64) ALDH1A1TDP1CYP3A4ALOX15KMT2A
SCHEMBL6011395 0.87 ALDH1A1 (0.59) ALDH1A1TDP1CYP3A4ALOX15KMT2A
Hydrochloric Acid SCHEMBL6011607 0.86 ALDH1A1 (0.57) ALDH1A1TDP1CYP3A4ALOX15KMT2A
SCHEMBL6029637 0.84 ALDH1A1 (0.55) ALDH1A1TDP1CYP3A4ALOX15KMT2A
SCHEMBL5684890 0.84 ALDH1A1 (0.59) ALDH1A1TDP1CYP3A4ALOX15KMT2A
SCHEMBL28001316 0.83 PTGS2 (0.58) ALDH1A1CYP3A4KMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL6777643 0.83 ALDH1A1 (0.53) ALDH1A1TDP1CYP3A4ALOX15KMT2A
SCHEMBL22773404 0.82 MEN1 (0.54) ALDH1A1TDP1CYP3A4KMT2AMEN1
SCHEMBL10711574 0.82 MAPT (0.48) ALDH1A1TDP1CYP3A4KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116554149-B Organometallic compound M-PYTA-TAA and preparation method and application thereof 岭南师范学院 2024-06-11 CN claimed
CN-116554149-A Organometallic compound M-PYTA-TAA and preparation method and application thereof 岭南师范学院 2023-08-08 CN claimed
CN-116554149-B Organometallic compound M-PYTA-TAA and preparation method and application thereof 岭南师范学院 2024-06-11 CN disclosed
CN-111542304-B PPD derivatives useful for coloring hair and skin 新加坡国立大学 2023-12-19 CN disclosed
CN-116554149-A Organometallic compound M-PYTA-TAA and preparation method and application thereof 岭南师范学院 2023-08-08 CN disclosed
CN-111542304-A PPD derivatives useful for coloring hair and skin 新加坡国立大学 2020-08-14 CN disclosed
CN-102656141-B Micromolecular compound of simulation hemopoieticgrowth factor and uses thereof LIGAND PHARMACEUTICALS INC. (US) 2016-04-06 CN disclosed
CN-100417638-C Prepn process of nitro aromatic amine compound UNIV TIANJIN (CN) 2008-09-10 CN disclosed
CN-100366233-C Hair conditioning compositions and application in hair dye composition thereof PROCTER & GAMBLE (US) 2008-02-06 CN disclosed
CN-1740141-A Prepn process of nitro aromatic amine compound UNIV TIANJIN (CN) 2006-03-01 CN disclosed
CN-1479606-A Hair conditioning composition and use thereof in hair dyeing compositions 宝洁公司 2004-03-03 CN disclosed
US-6518394-B2 Polyaniline, oxidation or electrochemical, aromatic amine initiator which reacts and becomes part of the polymer chain DREXEL UNIVERSITY 2003-02-11 US disclosed
US-20010037947-A1 End-functionalized aniline-based oligomers, corrosion-resistant copolymers and methods of making the same WEI YEN (US) 2001-11-08 US disclosed
CN-1092408-A Process for the preparation of isocyanate and carbamate products MONSANTO CO (US) 1994-09-21 CN 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-20010037947-A1 End-functionalized aniline-based oligomers, corrosion-resistant copolymers and methods of making the same MAOA, OGG1, AAAS ALDH1A1 1045/4885TDP1 419/4885CYP3A4 2392/4885

“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.