SCHEMBL5066151

SCHEMBL5066151

CCCc1ccc([N+](=O)[O-])c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
ALDH1A1 P00352 4/20 0.47
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
VCAM1 P19320 6/20 0.44
PGK1 P00558 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL28185595 0.90 TSHR (0.51) TSHRMAPK1ALDH1A1GAAHPGD
SCHEMBL5068488 0.86 TSHR (0.58) TSHRMAPK1ALDH1A1GAAHPGD
SCHEMBL28075538 0.84 CYP3A4 (0.52) TSHRMAPK1ALDH1A1CA2LMNA
SCHEMBL12643165 0.83 TAAR1 (0.56) TSHRMAPK1ALDH1A1VCAM1CA1
SCHEMBL3334862 0.82 TSHR (0.62) TSHRMAPK1ALDH1A1GAAHPGD
SCHEMBL21412681 0.81 MAPT (0.50) TSHRALDH1A1HPGDLMNACYP3A4
SCHEMBL550266 0.80 TSHR (0.60) TSHRMAPK1ALDH1A1GAAHPGD
SCHEMBL11967591 0.79 ATM (0.55) TSHRALDH1A1VCAM1LMNACYP3A4
SCHEMBL11494839 0.79 MAPT (0.56) TSHRMAPK1ALDH1A1CA2LMNA
SCHEMBL28823249 0.79 ABCG2 (0.39) TSHRMAPK1ALDH1A1VCAM1CA2

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 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.