SCHEMBL5066149

SCHEMBL5066149

CCC(c1ccccc1Cl)[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
GAA P10253 3/20 0.39
NISCH Q9Y2I1 1/20 0.39
CNR1 P21554 1/20 0.38
CASP1 P29466 1/20 0.38
ADRB2 P07550 2/20 0.37
ADRB1 P08588 2/20 0.37
AOC3 Q16853 1/20 0.37
CYP2D6 P10635 1/20 0.36
NFKB1 P19838 1/20 0.36
HIF1A Q16665 1/20 0.36
BLM P54132 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ACP3 P15309 1/20 0.34
HPGD P15428 1/20 0.34
KCNQ2 O43526 1/20 0.34

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
SCHEMBL5623819 0.77 ADRB2 (0.41) ALDH1A1GAANISCHCNR1ADRB2
SCHEMBL266714 0.73 LMNA (0.43) ALDH1A1NPSR1LMNAMAPTKMT2A
SCHEMBL9630544 0.72 ACP3 (0.41) ALDH1A1GAACNR1CASP1ADRB2
SCHEMBL8378871 0.71 CASP1 (0.46) ALDH1A1NISCHCNR1CASP1ADRB2
SCHEMBL9341404 0.70 ALDH1A1 (0.39) ALDH1A1GAACNR1ADRB2HIF1A
SCHEMBL11189703 0.70 ALDH1A1 (0.31) ALDH1A1GAACYP2D6NFKB1NPSR1
SCHEMBL9337776 0.70 HSD17B10 (0.43) ALDH1A1CYP2D6LMNAHTT
SCHEMBL2632968 0.70 NISCH (0.47) NISCHCNR1CASP1ADRB2ADRB1
SCHEMBL28592536 0.69 GPR84 (0.59) GAACYP2D6NPSR1MAPTKMT2A
SCHEMBL3789761 0.69 TSHR (0.59) ALDH1A1NISCHCASP1ADRB2ADRB1

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 13 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
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 ALDH1A1 2712/4885GAA 1040/4885NISCH 21/4885
US-20220401927-A1 PROCESS FOR REDUCING AROMATIC NITRO COMPOUNDS WITH SUPPORTED CATALYST ARG2, NDUFS5, NDUFS7 ALDH1A1 2712/4885GAA 1040/4885NISCH 21/4885
US-11452992-B2 Iron oxide supported rhodium catalyst for nitroarene reduction ARG2, NOS2, NDUFS7 ALDH1A1 2798/4885GAA 1858/4885NISCH 56/4885
US-20200298212-A1 IRON OXIDE SUPPORTED RHODIUM CATALYST FOR NITROARENE REDUCTION ARG2, NOS2, NDUFS7 ALDH1A1 2798/4885GAA 1858/4885NISCH 56/4885
US-20070049772-A1 Selective hydrogenation of nitro groups of halonitro aromatic compounds NOXO1, PYM1, HCN4 ALDH1A1 3031/4885GAA 4752/4885NISCH 178/4885
US-20080033193-A1 CATALYST FOR SELECTIVE HYDROGENATION OF NITRO GROUPS OF HALONITRO AROMATIC COMPOUNDS PYM1, NOXO1, SCO2 ALDH1A1 3025/4885GAA 4626/4885NISCH 113/4885

“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.