SCHEMBL5200622

SCHEMBL5200622

Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.66
GPR35 Q9HC97 5/20 0.66
CYP1A2 P05177 2/20 0.57
TSHR P16473 5/20 0.52
TDP1 Q9NUW8 7/20 0.52
MAPT P10636 3/20 0.51
MAPK1 P28482 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
KMT2A Q03164 2/20 0.48
CYP3A4 P08684 2/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
TTR P02766 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
RECQL P46063 1/20 0.48
PMP22 Q01453 1/20 0.48

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
SCHEMBL29720617 1.00 ALDH1A1 (0.66) ALDH1A1GPR35CYP1A2TSHRTDP1
Methoxymethane SCHEMBL27800962 0.94 ALDH1A1 (0.59) ALDH1A1GPR35CYP1A2TSHRTDP1
Trinitrotoluene SCHEMBL20676 0.89 ALDH1A1 (0.61) ALDH1A1GPR35CYP1A2TSHRTDP1
Trinitrotoluene SCHEMBL891182 0.89 ALDH1A1 (0.61) ALDH1A1GPR35CYP1A2TSHRTDP1
Trinitrotoluene SCHEMBL1272395 0.86 ALDH1A1 (0.59) ALDH1A1GPR35CYP1A2TSHRTDP1
Trinitrotoluene SCHEMBL14966503 0.86 ALDH1A1 (0.59) ALDH1A1GPR35CYP1A2TSHRTDP1
Trinitrotoluene SCHEMBL2566651 0.86 ALDH1A1 (0.59) ALDH1A1GPR35CYP1A2TSHRTDP1
Trinitrotoluene SCHEMBL28861138 0.86 ALDH1A1 (0.59) ALDH1A1GPR35CYP1A2TSHRTDP1
Trinitrotoluene SCHEMBL14966251 0.86 ALDH1A1 (0.59) ALDH1A1GPR35CYP1A2TSHRTDP1
Trinitrotoluene SCHEMBL9101074 0.86 ALDH1A1 (0.59) ALDH1A1GPR35CYP1A2TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250326736-A1 FLUORESCENTLY-ACTIVE FREE RADICAL TAGS FOR SIMULTANEOUS GLYCAN QUANTITATION AND CHARACTERIZATION MONTCLAIR STATE UNIV (US) 2025-10-23 US disclosed
WO-2023235535-A1 FLUORESCENTLY-ACTIVE FREE RADICAL TAGS FOR SIMULTANEOUS GLYCAN QUANTITATION AND CHARACTERIZATION MONTCLAIR STATE UNIVERSITY (US) 2023-12-07 WO disclosed
US-20230374214-A1 Mixed Aromatic Amine Monomers And Polymers Thereof ExxonMobil Technology and Engineering Company (US) 2023-11-23 US disclosed
US-20230374214-A1 Mixed Aromatic Amine Monomers And Polymers Thereof ExxonMobil Technology and Engineering Company (US) 2023-11-23 US disclosed
CN-111212827-B Increasing catalyst selectivity in continuous hydrogenation of nitro compounds by adding ammonia 巴斯夫欧洲公司 2023-11-17 CN disclosed
CN-117049967-A Preparation method and active application of 2, 6-dinitro-3, 4-dimethylphenol derivative 西华大学 2023-11-14 CN disclosed
EP-4225728-A1 MIXED AROMATIC AMINE MONOMERS AND POLYMERS THEREOF ExxonMobil Technology and Engineering Company (US) 2023-08-16 EP disclosed
CN-116323548-A Mixed aromatic amine monomers and polymers thereof 埃克森美孚技术与工程公司 2023-06-23 CN disclosed
US-11664093-B2 Extrapolative prediction of enantioselectivity enabled by computer-driven workflow, new molecular representations and machine learning THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-05-30 US disclosed
CN-109803949-B Catalyst modification using alkali metal ions, alkaline earth metal ions or rare earth metal ions in the continuous liquid phase hydrogenation of nitro compounds 巴斯夫欧洲公司 2023-04-14 CN disclosed
EP-0016949-B1 PROCESS FOR PREPARING URETHANES BAYER AG (DE) 1981-10-14 EP disclosed
EP-0035752-A1 Process for the preparation of urethanes BAYER AG (DE) 1981-09-16 EP disclosed
US-4262130-A Process for the production of urethanes BAYER AKTIENGESELLSCHAFT (DE) 1981-04-14 US disclosed
EP-0005226-B1 PROCESS FOR THE MANUFACTURE OF URETHANES BAYER AG (DE) 1980-11-12 EP disclosed
EP-0016949-A1 Process for preparing urethanes BAYER AG (DE) 1980-10-15 EP disclosed
EP-0016346-A1 Process for preparing urethanes BAYER AG (DE) 1980-10-01 EP disclosed
EP-0014845-A1 Process for the preparation of urethanes BAYER AG (DE) 1980-09-03 EP disclosed
US-4219661-A FROM THE NITRO COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1980-08-26 US disclosed
US-4207212-A Catalyst for carbonylation of aromatic nitrocompounds BALABANOV GEORGY P 1980-06-10 US disclosed
EP-0005226-A1 Process for the manufacture of urethanes BAYER AG (DE) 1979-11-14 EP 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-20250326736-A1 FLUORESCENTLY-ACTIVE FREE RADICAL TAGS FOR SIMULTANEOUS GLYCAN QUANTITATION AND CHARACTERIZATION LGALS9, NOX1, GLB1 ALDH1A1 471/4885GPR35 3302/4885CYP1A2 776/4885

“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.