SCHEMBL5068488

SCHEMBL5068488

CCc1ccc([N+](=O)[O-])c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
MAPK1 P28482 1/20 0.58
ALDH1A1 P00352 4/20 0.48
GAA P10253 2/20 0.48
HPGD P15428 1/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
CYP3A4 P08684 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 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
SCHEMBL5066151 0.86 TSHR (0.55) TSHRMAPK1ALDH1A1GAAHPGD
SCHEMBL811582 0.85 VCAM1 (0.54) ALDH1A1KAT2BVCAM1MEN1KMT2A
SCHEMBL3334862 0.85 TSHR (0.62) TSHRMAPK1ALDH1A1GAAHPGD
SCHEMBL550266 0.83 TSHR (0.60) TSHRMAPK1ALDH1A1GAAHPGD
SCHEMBL28185595 0.83 TSHR (0.51) TSHRMAPK1ALDH1A1GAAHPGD
SCHEMBL10959235 0.82 TSHR (0.55) TSHRMAPK1ALDH1A1GAACYP3A4
SCHEMBL6211032 0.81 TSHR (0.58) TSHRMAPK1ALDH1A1GAAHPGD
SCHEMBL31667740 0.81 TSHR (0.58) TSHRMAPK1ALDH1A1GAAHPGD
SCHEMBL1868568 0.81 TSHR (0.58) TSHRMAPK1ALDH1A1GAAHPGD
SCHEMBL10270605 0.81 TSHR (0.58) TSHRMAPK1ALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11712680-B2 Process for reducing aromatic nitro compounds with supported catalyst KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2023-08-01 US disclosed
US-20220401927-A1 PROCESS FOR REDUCING AROMATIC NITRO COMPOUNDS WITH SUPPORTED CATALYST KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2022-12-22 US disclosed
US-11452992-B2 Iron oxide supported rhodium catalyst for nitroarene reduction KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2022-09-27 US disclosed
US-20200298212-A1 IRON OXIDE SUPPORTED RHODIUM CATALYST FOR NITROARENE REDUCTION KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2020-09-24 US disclosed
CN-104011010-B Bisaniline compounds and its manufacture method 组合化学工业株式会社 2017-11-28 CN disclosed
CN-104011010-A Diphenylamine compound and method for producing same IHARA CHEMICAL IND CO 2014-08-27 CN disclosed
US-7425520-B2 Catalyst for selective hydrogenation of nitro groups of halonitro aromatic compounds HEADWATERS TECHNOLOGY INNOVATION, LLC (US) 2008-09-16 US disclosed
US-20080033193-A1 CATALYST FOR SELECTIVE HYDROGENATION OF NITRO GROUPS OF HALONITRO AROMATIC COMPOUNDS HEADWATERS TECHNOLOGY INNOVATION, LLC (US) 2008-02-07 US disclosed
US-7288500-B2 Selective hydrogenation of nitro groups of halonitro aromatic compounds HEADWATERS TECHNOLOGY INNOVATION, LLC (US) 2007-10-30 US disclosed
US-20070049772-A1 Selective hydrogenation of nitro groups of halonitro aromatic compounds HEADWATERS HEAVY OIL, LLC 2007-03-01 US disclosed
EP-0842920-B1 Process for the production of aromatic halogen-amino compounds SYNGENTA PARTICIPATIONS AG (CH) 2004-04-07 EP disclosed
US-6197716-B1 AS HYDROGENATION CATALYST IN HYDROGENATION OF AROMATIC HALONITRO COMPOUNDS TO AROMATIC HALOAMINO COMPOUNDS NOVARTIS AG (CH) 2001-03-06 US disclosed
US-5962741-A Process for the production of aromatic halogen-amino compounds NOVARTIS AG (CH) 1999-10-05 US disclosed
EP-0842920-A2 Process for the production of aromatic halogen-amino compounds Novartis AG (CH) 1998-05-20 EP disclosed
US-4020107-A ACIDIC PHOSPHORUS COMPOUND DEHALOGENATION INHIBITOR E. I. DU PONT DE NEMOURS AND CO. (US) 1977-04-26 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 (6 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-11712680-B2 Process for reducing aromatic nitro compounds with supported catalyst ARG2, NDUFS5, NDUFS7 TSHR 2114/4885MAPK1 2681/4885ALDH1A1 2712/4885
US-20220401927-A1 PROCESS FOR REDUCING AROMATIC NITRO COMPOUNDS WITH SUPPORTED CATALYST ARG2, NDUFS5, NDUFS7 TSHR 2114/4885MAPK1 2681/4885ALDH1A1 2712/4885
US-11452992-B2 Iron oxide supported rhodium catalyst for nitroarene reduction ARG2, NOS2, NDUFS7 TSHR 831/4885MAPK1 3430/4885ALDH1A1 2798/4885
US-20200298212-A1 IRON OXIDE SUPPORTED RHODIUM CATALYST FOR NITROARENE REDUCTION ARG2, NOS2, NDUFS7 TSHR 831/4885MAPK1 3430/4885ALDH1A1 2798/4885
US-20070049772-A1 Selective hydrogenation of nitro groups of halonitro aromatic compounds NOXO1, PYM1, HCN4 TSHR 1264/4885MAPK1 2010/4885ALDH1A1 3031/4885
US-20080033193-A1 CATALYST FOR SELECTIVE HYDROGENATION OF NITRO GROUPS OF HALONITRO AROMATIC COMPOUNDS PYM1, NOXO1, SCO2 TSHR 1294/4885MAPK1 2191/4885ALDH1A1 3025/4885

“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.