SCHEMBL3889423

SCHEMBL3889423

O=C(O)c1cc(Oc2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
TDP1 Q9NUW8 3/20 0.55
TTR P02766 2/20 0.55
PPOX P50336 1/20 0.55
KDM4E B2RXH2 1/20 0.55
HPSE Q9Y251 1/20 0.54
DTYMK P23919 1/20 0.54
POLB P06746 1/20 0.51
AKR1C3 P42330 3/20 0.50
AKR1C2 P52895 2/20 0.50
AKR1B10 O60218 1/20 0.50
AKR1B1 P15121 1/20 0.50
AKR1C4 P17516 1/20 0.50
AKR1C1 Q04828 1/20 0.50
SIRT6 Q8N6T7 1/20 0.48
FFAR1 O14842 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
MCL1 Q07820 1/20 0.45

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
SCHEMBL10976077 0.89 MEN1 (0.61) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11282911 0.89 MEN1 (0.54) MEN1KMT2ATDP1TTRPPOX
SCHEMBL1075103 0.88 MEN1 (0.51) MEN1KMT2ATDP1TTRPPOX
SCHEMBL27354736 0.88 PARP10 (0.50) MEN1KMT2ATDP1TTRPPOX
SCHEMBL3890179 0.88 TDP1 (0.56) MEN1KMT2ATDP1TTRPPOX
SCHEMBL2274722 0.88 KDM4E (0.55) MEN1KMT2AKDM4EHPSEPOLB
SCHEMBL6567226 0.87 KDM4E (0.62) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10784715 0.87 TDP1 (0.58) MEN1KMT2ATDP1TTRPPOX
SCHEMBL7008104 0.87 MEN1 (0.52) MEN1KMT2ATDP1TTRPPOX
SCHEMBL2724028 0.85 TDP1 (0.62) MEN1KMT2ATDP1KDM4EHPSE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4874846-A Process for the preparation of aryloxybenzoic acids containing a sulfonamide group RHONE-POULENC AGROCHIMIE S.A. (FR) 1989-10-17 US claimed
US-7572783-B2 Obesity; N-(1-benzyl-piperidin-4-yl)-2-(2,5-dioxo-7-phenoxy-1,2,3,5-tetrahydro-benzo[e][1,4]diazepin-4-yl)-3-methyl-butyramide; modulators of ghrelin receptor (GHSR) AMGEN INC. (US) 2009-08-11 US disclosed
US-7569725-B2 2-[(3-chloro-4-hydroxybenzoyl)amino]-N-[2-(2-methoxyphenyl)ethyl]-5-phenoxybenzamide; therapeutic use as anti-cancer agents, as well as other therapeutic agents, for example, as anti-fertility agents BRITSOL-MYERS SQUIBB COMPANY (US) 2009-08-04 US disclosed
US-7569725-B2 2-[(3-chloro-4-hydroxybenzoyl)amino]-N-[2-(2-methoxyphenyl)ethyl]-5-phenoxybenzamide; therapeutic use as anti-cancer agents, as well as other therapeutic agents, for example, as anti-fertility agents BRITSOL-MYERS SQUIBB COMPANY (US) 2009-08-04 US disclosed
US-7569725-B2 2-[(3-chloro-4-hydroxybenzoyl)amino]-N-[2-(2-methoxyphenyl)ethyl]-5-phenoxybenzamide; therapeutic use as anti-cancer agents, as well as other therapeutic agents, for example, as anti-fertility agents BRITSOL-MYERS SQUIBB COMPANY (US) 2009-08-04 US disclosed
US-7429677-B2 Small molecule entry inhibitors TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-09-30 US disclosed
EP-1940805-A1 BENZODIAZEPINE AND BENZOPIPERAZINE ANALOG INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2008-07-09 EP disclosed
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase METHYLGENE, INC. (CA) 2007-07-05 US disclosed
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase METHYLGENE, INC. (CA) 2007-07-05 US disclosed
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase METHYLGENE, INC. (CA) 2007-07-05 US disclosed
US-5719164-A Substituted quinoline-2-carboxamides, their preparation and their use as pharmaceuticals, and intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1998-02-17 US disclosed
CN-1154365-A Substituted quinoline-2-carboxamides, process for their preparation and their use as pharmaceuticals, and intermediates thereof HOECHST AG (DE) 1997-07-16 CN disclosed
EP-0765871-A1 Substituted Quinoline-2-carboxamides, their preparation and their use as prolyle-4-hydroxylase Inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1997-04-02 EP disclosed
US-4626275-A Certain 5-(pyridyl-2'-oxy)-2-nitrobenzoic acid ester derivatives herbicidal compositions containing same and their herbicidal use CIBA-GEIGY CORPORATION (US) 1986-12-02 US disclosed
EP-0122997-A1 Selective process for the preparation of hydroxy alkyl phenoxy benzoates GAF CORPORATION (US) 1984-10-31 EP disclosed
US-4448982-A Selective process for the preparation of hydroxy alkyl phenoxy benzoates GAF CORPORATION (US) 1984-05-15 US disclosed
US-4431439-A PLANT GROWTH INHIBITORS; SELELCTIVE FOR CEREAL CROPS CIBA-GEIGY CORPORATION (US) 1984-02-14 US disclosed
US-4420328-A Derivatives of 5-(pyridyl-2-oxy)-2-nitrobenzoic acid, and herbicidal compositions containing them CIBA-GEIGY CORPORATION (US) 1983-12-13 US disclosed
US-4350519-A SELECTIVE ACTION, PRE- AND POSTEMERGENCE CIBA-GEIGY CORPORATION (US) 1982-09-21 US disclosed
US-4326880-A HERBICIDE CIBA-GEIGY CORPORATION (US) 1982-04-27 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 (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-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase HDAC5, HDAC4, HDAC3 MEN1 4013/4885KMT2A 111/4885TDP1 1749/4885

“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.